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ethyl 3-{2-[(3-cyanopyridin-2-yl)sulfanyl]acetamido}benzoate

ethyl 3-{2-[(3-cyanopyridin-2-yl)sulfanyl]acetamido}benzoate

Formula: C17H15N3O3S

SMILES: CCOC(=O)C1=CC=CC(NC(=O)CSC2=NC=CC=C2C#N)=C1

IUPAC: ethyl 3-{2-[(3-cyanopyridin-2-yl)sulfanyl]acetamido}benzoate

InChI: InChI=1S/C17H15N3O3S/c1-2-23-17(22)12-5-3-7-14(9-12)20-15(21)11-24-16-13(10-18)6-4-8-19-16/h3-9H,2,11H2,1H3,(H,20,21)

Composition: C (59.81%), H (4.43%), N (12.31%), O (14.06%), S (9.39%)

Molar Mass: 341.39

Atom Count: 39

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 341.083412529
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LRUQXAFDNVEHQV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.98
Topological Polar Surface Area 92.08
Polarizability 35.08
Ring Count 2
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H15N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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