4-[3-[[(4-chlorophenyl)amino]methyl]-2-(2-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[3-[[(4-chlorophenyl)amino]methyl]-2-(2-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-[(4-chloroanilino)methyl]-2-(2-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[(4-chloroanilino)methyl]-2-(2-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-[(4-chloroanilino)methyl]-2-(2-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[(4-chloroanilino)methyl]-2-(2-hydroxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C28H23ClN2O2S MolecularWeight: 487.01242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C(C(=C3C=CC(=O)C=C3)NC4=CC=CC=C4S2)CNC5=CC=C(C=C5)Cl)O

Isomeric SMILES

C1=CC=C(C(=C1)C2C(C(=C3C=CC(=O)C=C3)NC4=CC=CC=C4S2)CNC5=CC=C(C=C5)Cl)O

InChI

InChI=1S/C28H23ClN2O2S/c29-19-11-13-20(14-12-19)30-17-23-27(18-9-15-21(32)16-10-18)31-24-6-2-4-8-26(24)34-28(23)22-5-1-3-7-25(22)33/h1-16,23,28,30-31,33H,17H2