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

Systemtic Name: N-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(3-methoxyanilino)-2-oxo-ethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-keto-2-(m-anisidino)ethyl]-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H21N3O4S/c1-23(12-19(25)21-14-4-3-5-15(11-14)27-2)20(26)13-6-7-17-16(10-13)22-18(24)8-9-28-17/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,25)(H,22,24)