methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropylcarbonylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropylcarbonylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(cyclopropanecarbonylamino)-5-methyl-4-(4-sec-butylphenyl)thiophene-3-carboxylate CAS Name: 4-(4-butan-2-ylphenyl)-2-[[cyclopropyl(oxo)methyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-butan-2-ylphenyl)-2-(cyclopropanecarbonylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-5-methyl-4-(4-sec-butylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3CC3)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3CC3)C

InChI

InChI=1S/C21H25NO3S/c1-5-12(2)14-6-8-15(9-7-14)17-13(3)26-20(18(17)21(24)25-4)22-19(23)16-10-11-16/h6-9,12,16H,5,10-11H2,1-4H3,(H,22,23)