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

Systemtic Name: 4-[2-(4-hydroxyphenyl)-3-[[(4-methoxyphenyl)amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(4-hydroxyphenyl)-3-[(4-methoxyanilino)methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[2-(4-hydroxyphenyl)-3-[(4-methoxyanilino)methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-(4-hydroxyphenyl)-3-[(4-methoxyanilino)methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(4-hydroxyphenyl)-3-(p-anisidinomethyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C29H26N2O3S MolecularWeight: 482.59334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCC2C(SC3=CC=CC=C3NC2=C4C=CC(=O)C=C4)C5=CC=C(C=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)NCC2C(SC3=CC=CC=C3NC2=C4C=CC(=O)C=C4)C5=CC=C(C=C5)O

InChI

InChI=1S/C29H26N2O3S/c1-34-24-16-10-21(11-17-24)30-18-25-28(19-6-12-22(32)13-7-19)31-26-4-2-3-5-27(26)35-29(25)20-8-14-23(33)15-9-20/h2-17,25,29-31,33H,18H2,1H3