ethyl 2-[2-(butan-2-ylamino)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(butan-2-ylamino)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 4-(p-tolyl)-2-[[2-(sec-butylamino)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(butan-2-ylamino)-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(butan-2-ylamino)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 4-(p-tolyl)-2-[[2-(sec-butylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCC(C)NCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C20H26N2O3S/c1-5-14(4)21-11-17(23)22-19-18(20(24)25-6-2)16(12-26-19)15-9-7-13(3)8-10-15/h7-10,12,14,21H,5-6,11H2,1-4H3,(H,22,23)