[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-keto-ethyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)NC1=CC=C(C=C1)SC2=C(C=CC(=C2)C)C

Isomeric SMILES

C/C=C/C(=O)OCC(=O)NC1=CC=C(C=C1)SC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C20H21NO3S/c1-4-5-20(23)24-13-19(22)21-16-8-10-17(11-9-16)25-18-12-14(2)6-7-15(18)3/h4-12H,13H2,1-3H3,(H,21,22)/b5-4+