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

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(2-naphthylamino)-2-oxo-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-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 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-naphthylamino)ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC4=CC=CC=C4C=C3)NC1=O

InChI

InChI=1S/C22H18N2O4S/c25-20-9-10-29-19-8-6-16(12-18(19)24-20)22(27)28-13-21(26)23-17-7-5-14-3-1-2-4-15(14)11-17/h1-8,11-12H,9-10,13H2,(H,23,26)(H,24,25)