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

Systemtic Name: 4-oxidanylidene-N-[(2,3,4-trimethoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[(2,3,4-trimethoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[(2,3,4-trimethoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[(2,3,4-trimethoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(2,3,4-trimethoxybenzyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)OC)OC

InChI

InChI=1S/C20H22N2O5S/c1-25-15-6-4-13(18(26-2)19(15)27-3)11-21-20(24)12-5-7-16-14(10-12)22-17(23)8-9-28-16/h4-7,10H,8-9,11H2,1-3H3,(H,21,24)(H,22,23)