methyl 2-(3,3-dimethylbutanoylamino)-4-(4-propoxyphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,3-dimethylbutanoylamino)-4-(4-propoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(3,3-dimethylbutanoylamino)-4-(4-propoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-4-(4-propoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethylbutanoylamino)-4-(4-propoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-(3,3-dimethylbutanoylamino)-4-(4-propoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC(C)(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC(C)(C)C

InChI

InChI=1S/C21H27NO4S/c1-6-11-26-15-9-7-14(8-10-15)16-13-27-19(18(16)20(24)25-5)22-17(23)12-21(2,3)4/h7-10,13H,6,11-12H2,1-5H3,(H,22,23)