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

Systemtic Name: N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCN(C)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)OCCN(C)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H22N2O3S/c1-14-4-3-5-16(12-14)25-10-9-22(2)20(24)15-6-7-18-17(13-15)21-19(23)8-11-26-18/h3-7,12-13H,8-11H2,1-2H3,(H,21,23)