N-(2-acetamidoethyl)-3-chloranyl-11-methyl-9-oxidanylidene-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-3-chloranyl-11-methyl-9-oxidanylidene-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Openeye Name: N-(2-acetamidoethyl)-3-chloro-11-methyl-9-oxo-6-(2-thienyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide CAS Name: N-(2-acetamidoethyl)-3-chloro-11-methyl-9-oxo-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide IUPAC Name: N-(2-acetamidoethyl)-3-chloro-11-methyl-9-oxo-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Traditional Name: N-(2-acetamidoethyl)-3-chloro-9-keto-11-methyl-6-(2-thienyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Formula: C23H22ClN3O3S2 MolecularWeight: 488.02208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2N1C3=C(C=C(C=C3)Cl)SC(C2)C4=CC=CS4)C(=O)NCCNC(=O)C

Isomeric SMILES

CC1=CC(=O)C(=C2N1C3=C(C=C(C=C3)Cl)SC(C2)C4=CC=CS4)C(=O)NCCNC(=O)C

InChI

InChI=1S/C23H22ClN3O3S2/c1-13-10-18(29)22(23(30)26-8-7-25-14(2)28)17-12-21(19-4-3-9-31-19)32-20-11-15(24)5-6-16(20)27(13)17/h3-6,9-11,21H,7-8,12H2,1-2H3,(H,25,28)(H,26,30)