[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 4-methanoylbenzoate

Systemtic Name: [2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-keto-ethyl] ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C24H21NO4S/c1-16-3-4-17(2)22(13-16)30-21-11-9-20(10-12-21)25-23(27)15-29-24(28)19-7-5-18(14-26)6-8-19/h3-14H,15H2,1-2H3,(H,25,27)