[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobut-2-enyl)amino]-4-phenyl-3-thiophenecarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)SC)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)SC)C

InChI

InChI=1S/C25H24N2O4S2/c1-16(2)12-21(28)27-24-23(20(15-33-24)17-8-5-4-6-9-17)25(30)31-14-22(29)26-18-10-7-11-19(13-18)32-3/h4-13,15H,14H2,1-3H3,(H,26,29)(H,27,28)