ethyl 5-chloranyl-2-[2-(3-methylbutylamino)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-2-[2-(3-methylbutylamino)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-2-[[2-(isopentylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-chloro-2-[[2-(3-methylbutylamino)-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-[[2-(3-methylbutylamino)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 5-chloro-2-[[2-(isoamylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O3S/c1-5-27-21(26)18-17(15-8-6-14(4)7-9-15)19(22)28-20(18)24-16(25)12-23-11-10-13(2)3/h6-9,13,23H,5,10-12H2,1-4H3,(H,24,25)