methyl 5-methylsulfanyl-4-[(3-propan-2-ylphenyl)amino]thiophene-2-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-4-[(3-propan-2-ylphenyl)amino]thiophene-2-carboxylate Openeye Name: methyl 4-(3-isopropylanilino)-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 5-(methylthio)-4-(3-propan-2-ylanilino)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-4-(3-propan-2-ylanilino)thiophene-2-carboxylate Traditional Name: 4-(3-isopropylanilino)-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C16H19NO2S2 MolecularWeight: 321.45756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC2=C(SC(=C2)C(=O)OC)SC

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC2=C(SC(=C2)C(=O)OC)SC

InChI

InChI=1S/C16H19NO2S2/c1-10(2)11-6-5-7-12(8-11)17-13-9-14(15(18)19-3)21-16(13)20-4/h5-10,17H,1-4H3