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

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 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 [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 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 [4-(2-thenoylamino)phenyl] ester Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)NC1=O

InChI

InChI=1S/C21H16N2O4S2/c24-19-9-11-29-17-8-3-13(12-16(17)23-19)21(26)27-15-6-4-14(5-7-15)22-20(25)18-2-1-10-28-18/h1-8,10,12H,9,11H2,(H,22,25)(H,23,24)