[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-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-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)methyl-methylamino]-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-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-14-4-5-17(15(2)10-14)12-24(3)21(26)13-28-22(27)16-6-7-19-18(11-16)23-20(25)8-9-29-19/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,23,25)