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

Systemtic Name: 3-chloranyl-11-methyl-9-oxidanylidene-N-(2-oxidanylpropyl)-6-thiophen-3-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Openeye Name: 3-chloro-N-(2-hydroxypropyl)-11-methyl-9-oxo-6-(3-thienyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide CAS Name: 3-chloro-N-(2-hydroxypropyl)-11-methyl-9-oxo-6-(3-thiophenyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide IUPAC Name: 3-chloro-N-(2-hydroxypropyl)-11-methyl-9-oxo-6-thiophen-3-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Traditional Name: 3-chloro-N-(2-hydroxypropyl)-9-keto-11-methyl-6-(3-thienyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Formula: C22H21ClN2O3S2 MolecularWeight: 460.99674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2N1C3=C(C=C(C=C3)Cl)SC(C2)C4=CSC=C4)C(=O)NCC(C)O

Isomeric SMILES

CC1=CC(=O)C(=C2N1C3=C(C=C(C=C3)Cl)SC(C2)C4=CSC=C4)C(=O)NCC(C)O

InChI

InChI=1S/C22H21ClN2O3S2/c1-12-7-18(27)21(22(28)24-10-13(2)26)17-9-19(14-5-6-29-11-14)30-20-8-15(23)3-4-16(20)25(12)17/h3-8,11,13,19,26H,9-10H2,1-2H3,(H,24,28)