(6Z)-4-chloranyl-3-methyl-6-(7-oxidanyl-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-4-chloranyl-3-methyl-6-(7-oxidanyl-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-chloro-6-(7-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-3-methyl-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-chloro-6-(7-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-3-methyl-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-chloro-6-(7-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-3-methylcyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-chloro-6-(7-hydroxy-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-3-methyl-cyclohexa-2,4-dien-1-one Formula: C22H18ClNO2S MolecularWeight: 395.90182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SC3=C(N2)C=C(C=C3)O)C4=CC=CC=C4)C=C1Cl

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SC3=C(N2)C=C(C=C3)O)C4=CC=CC=C4)/C=C1Cl

InChI

InChI=1S/C22H18ClNO2S/c1-13-9-20(26)16(11-17(13)23)18-12-22(14-5-3-2-4-6-14)27-21-8-7-15(25)10-19(21)24-18/h2-11,22,24-25H,12H2,1H3/b18-16-