ethyl 2-[[4-(2-chlorophenyl)-7-oxidanylidene-8H-thieno[2,3-b][1,4]diazepin-2-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(2-chlorophenyl)-7-oxidanylidene-8H-thieno[2,3-b][1,4]diazepin-2-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[4-(2-chlorophenyl)-7-oxo-8H-thieno[2,3-b][1,4]diazepine-2-carbonyl]amino]acetate CAS Name: 2-[[[4-(2-chlorophenyl)-7-oxo-8H-thieno[2,3-b][1,4]diazepin-2-yl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-chlorophenyl)-7-oxo-8H-thieno[2,3-b][1,4]diazepine-2-carbonyl]amino]acetate Traditional Name: 2-[[4-(2-chlorophenyl)-7-keto-8H-thieno[2,3-b][1,4]diazepine-2-carbonyl]amino]acetic acid ethyl ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=CC2=C(S1)NC(=O)C=CN2C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)CNC(=O)C1=CC2=C(S1)NC(=O)C=CN2C3=CC=CC=C3Cl

InChI

InChI=1S/C18H16ClN3O4S/c1-2-26-16(24)10-20-17(25)14-9-13-18(27-14)21-15(23)7-8-22(13)12-6-4-3-5-11(12)19/h3-9H,2,10H2,1H3,(H,20,25)(H,21,23)