N-ethyl-N-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-ethyl-N-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-ethyl-N-[2-(2-methoxyanilino)-2-oxo-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-ethyl-4-keto-N-[2-keto-2-(o-anisidino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C21H23N3O4S/c1-3-24(13-20(26)22-15-6-4-5-7-17(15)28-2)21(27)14-8-9-18-16(12-14)23-19(25)10-11-29-18/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)(H,23,25)