8-(azepan-1-ylcarbonyl)-3-chloranyl-11-methyl-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-9-one

Systemtic Name: 8-(azepan-1-ylcarbonyl)-3-chloranyl-11-methyl-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-9-one Openeye Name: 8-(azepane-1-carbonyl)-3-chloro-11-methyl-6-(2-thienyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-9-one CAS Name: 8-[1-azepanyl(oxo)methyl]-3-chloro-11-methyl-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-9-one IUPAC Name: 8-(azepane-1-carbonyl)-3-chloro-11-methyl-6-thiophen-2-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-9-one Traditional Name: 8-(azepane-1-carbonyl)-3-chloro-11-methyl-6-(2-thienyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-9-one Formula: C25H25ClN2O2S2 MolecularWeight: 485.0612

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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)N5CCCCCC5

Isomeric SMILES

CC1=CC(=O)C(=C2N1C3=C(C=C(C=C3)Cl)SC(C2)C4=CC=CS4)C(=O)N5CCCCCC5

InChI

InChI=1S/C25H25ClN2O2S2/c1-16-13-20(29)24(25(30)27-10-4-2-3-5-11-27)19-15-23(21-7-6-12-31-21)32-22-14-17(26)8-9-18(22)28(16)19/h6-9,12-14,23H,2-5,10-11,15H2,1H3