ethyl 4-({5,5-dioxo-3aH,4H,6H,6aH-5??-thieno[3,4-d][1,3]thiazol-2-yl}amino)benzoate

ethyl 4-({5,5-dioxo-3aH,4H,6H,6aH-5??-thieno[3,4-d][1,3]thiazol-2-yl}amino)benzoate

CAS: 892277-16-6

Formula: C14H16N2O4S2

SMILES: CCOC(=O)C1=CC=C(NC2=NC3CS(=O)(=O)CC3S2)C=C1

IUPAC: ethyl 4-({5,5-dioxo-3aH,4H,6H,6aH-5??-thieno[3,4-d][1,3]thiazol-2-yl}amino)benzoate

InChI: InChI=1/C14H16N2O4S2/c1-2-20-13(17)9-3-5-10(6-4-9)15-14-16-11-7-22(18,19)8-12(11)21-14/h3-6,11-12H,2,7-8H2,1H3,(H,15,16)

Composition: C (49.40%), H (4.74%), N (8.23%), O (18.80%), S (18.84%)

Molar Mass: 340.41

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	340.055149351
Formal Charge	0
FSP3	0.43
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JTNKXJRSAMLJJP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.77
Topological Polar Surface Area	84.83
Polarizability	33.54
Ring Count	3
Rotatable Bond Count	4

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