[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)C

InChI

InChI=1S/C18H21NO3S2/c1-4-6-13-9-16(24-12(13)2)18(21)22-11-17(20)19-14-7-5-8-15(10-14)23-3/h5,7-10H,4,6,11H2,1-3H3,(H,19,20)