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

Systemtic Name: N-methyl-4-oxidanylidene-N-[(4-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-methyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-methyl-4-oxo-N-[(4-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(4-allyloxybenzyl)-4-keto-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-3-11-26-17-7-4-15(5-8-17)14-23(2)21(25)16-6-9-19-18(13-16)22-20(24)10-12-27-19/h3-9,13H,1,10-12,14H2,2H3,(H,22,24)