4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-7-nitro-3-oxidanylidene-5H-1,4-benzothiazepine-5-carboxamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-7-nitro-3-oxidanylidene-5H-1,4-benzothiazepine-5-carboxamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-7-nitro-3-oxo-5H-1,4-benzothiazepine-5-carboxamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-7-nitro-3-oxo-5H-1,4-benzothiazepine-5-carboxamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-7-nitro-3-oxo-5H-1,4-benzothiazepine-5-carboxamide Traditional Name: 4-(4-chlorobenzyl)-3-keto-7-nitro-N-p-phenetyl-5H-1,4-benzothiazepine-5-carboxamide Formula: C25H22ClN3O5S MolecularWeight: 511.97728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2C3=C(C=CC(=C3)[N+](=O)[O-])SCC(=O)N2CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2C3=C(C=CC(=C3)[N+](=O)[O-])SCC(=O)N2CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3O5S/c1-2-34-20-10-7-18(8-11-20)27-25(31)24-21-13-19(29(32)33)9-12-22(21)35-15-23(30)28(24)14-16-3-5-17(26)6-4-16/h3-13,24H,2,14-15H2,1H3,(H,27,31)