[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CS3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CS3)NC1=O

InChI

InChI=1S/C18H18N2O4S2/c21-16-6-9-26-15-4-3-12(10-14(15)20-16)18(23)24-11-17(22)19-7-5-13-2-1-8-25-13/h1-4,8,10H,5-7,9,11H2,(H,19,22)(H,20,21)