[(E)-[1-oxidanylidene-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate

Systemtic Name: [(E)-[1-oxidanylidene-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate Openeye Name: [(E)-1-(4-phenylsulfanylbenzoyl)heptylideneamino] benzoate CAS Name: benzoic acid [(E)-[1-oxo-1-[4-(phenylthio)phenyl]octan-2-ylidene]amino] ester IUPAC Name: [(E)-[1-oxo-1-(4-phenylsulfanylphenyl)octan-2-ylidene]amino] benzoate Traditional Name: benzoic acid [(E)-1-[4-(phenylthio)benzoyl]heptylideneamino] ester Formula: C27H27NO3S MolecularWeight: 445.57318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=NOC(=O)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CCCCCC/C(=N\OC(=O)C1=CC=CC=C1)/C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C27H27NO3S/c1-2-3-4-11-16-25(28-31-27(30)22-12-7-5-8-13-22)26(29)21-17-19-24(20-18-21)32-23-14-9-6-10-15-23/h5-10,12-15,17-20H,2-4,11,16H2,1H3/b28-25+