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

Systemtic Name: 3-chloranyl-11-methyl-9-oxidanylidene-N-prop-2-enyl-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Openeye Name: N-allyl-3-chloro-11-methyl-9-oxo-6-(2-thienyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide CAS Name: 3-chloro-11-methyl-9-oxo-N-prop-2-enyl-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide IUPAC Name: 3-chloro-11-methyl-9-oxo-N-prop-2-enyl-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Traditional Name: N-allyl-3-chloro-9-keto-11-methyl-6-(2-thienyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Formula: C22H19ClN2O2S2 MolecularWeight: 442.98146

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O2S2/c1-3-8-24-22(27)21-16-12-20(18-5-4-9-28-18)29-19-11-14(23)6-7-15(19)25(16)13(2)10-17(21)26/h3-7,9-11,20H,1,8,12H2,2H3,(H,24,27)