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

Systemtic Name: ethyl 2-[2-(3-methylbutylamino)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(isopentylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-(3-methylbutylamino)-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-methylbutylamino)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(isoamylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CNCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CNCCC(C)C

InChI

InChI=1S/C21H28N2O3S/c1-5-26-21(25)19-17(16-8-6-15(4)7-9-16)13-27-20(19)23-18(24)12-22-11-10-14(2)3/h6-9,13-14,22H,5,10-12H2,1-4H3,(H,23,24)