N-[1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[1-[(2-chlorophenyl)methyl]-6-oxopyridin-3-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[1-(2-chlorobenzyl)-6-keto-3-pyridyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=CN(C(=O)C=C3)CC4=CC=CC=C4Cl)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=CN(C(=O)C=C3)CC4=CC=CC=C4Cl)NC1=O

InChI

InChI=1S/C22H18ClN3O3S/c23-17-4-2-1-3-15(17)12-26-13-16(6-8-21(26)28)24-22(29)14-5-7-19-18(11-14)25-20(27)9-10-30-19/h1-8,11,13H,9-10,12H2,(H,24,29)(H,25,27)