4-[2-(4-methoxyphenyl)-7-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2-(4-methoxyphenyl)-7-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[7-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[7-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[7-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[7-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=C3C=CC(=O)C=C3)NC4=C(S2)C=CC(=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=C3C=CC(=O)C=C3)NC4=C(S2)C=CC(=C4)O

InChI

InChI=1S/C22H19NO3S/c1-26-18-9-4-15(5-10-18)22-13-19(14-2-6-16(24)7-3-14)23-20-12-17(25)8-11-21(20)27-22/h2-12,22-23,25H,13H2,1H3