methyl 4-(3,4-dimethylphenyl)-2-(2-methylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(3,4-dimethylphenyl)-2-(2-methylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(3,4-dimethylphenyl)-2-(2-methylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[(2-methyl-1-oxopropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethylphenyl)-2-(2-methylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-(isobutyrylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(C)C)C

InChI

InChI=1S/C18H21NO3S/c1-10(2)16(20)19-17-15(18(21)22-5)14(9-23-17)13-7-6-11(3)12(4)8-13/h6-10H,1-5H3,(H,19,20)