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

Systemtic Name: methyl 2-(butanoylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(butanoylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-(1-oxobutylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(butanoylamino)-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-butyramido-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=CS1)C2=CC(=C(C=C2)C)C)C(=O)OC

Isomeric SMILES

CCCC(=O)NC1=C(C(=CS1)C2=CC(=C(C=C2)C)C)C(=O)OC

InChI

InChI=1S/C18H21NO3S/c1-5-6-15(20)19-17-16(18(21)22-4)14(10-23-17)13-8-7-11(2)12(3)9-13/h7-10H,5-6H2,1-4H3,(H,19,20)