methyl 4,5-dimethyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(3-methylbutanoylamino)thiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CC(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CC(C)C)C

InChI

InChI=1S/C13H19NO3S/c1-7(2)6-10(15)14-12-11(13(16)17-5)8(3)9(4)18-12/h7H,6H2,1-5H3,(H,14,15)