[(E)-2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-1,3-diphenyl-prop-1-enyl] 4-methylbenzoate

Systemtic Name: [(E)-2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-1,3-diphenyl-prop-1-enyl] 4-methylbenzoate Openeye Name: [(E)-2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenyl-prop-1-enyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(E)-2-[(2-nitrophenyl)thio]-3-oxo-1,3-diphenylprop-1-enyl] ester IUPAC Name: [(E)-2-(2-nitrophenyl)sulfanyl-3-oxo-1,3-diphenylprop-1-enyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(E)-3-keto-2-[(2-nitrophenyl)thio]-1,3-diphenyl-prop-1-enyl] ester Formula: C29H21NO5S MolecularWeight: 495.54574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(=C(C(=O)C2=CC=CC=C2)SC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O/C(=C(\C(=O)C2=CC=CC=C2)/SC3=CC=CC=C3[N+](=O)[O-])/C4=CC=CC=C4

InChI

InChI=1S/C29H21NO5S/c1-20-16-18-23(19-17-20)29(32)35-27(22-12-6-3-7-13-22)28(26(31)21-10-4-2-5-11-21)36-25-15-9-8-14-24(25)30(33)34/h2-19H,1H3/b28-27+