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

Systemtic Name: ethyl 5-chloranyl-4-(4-methylphenyl)-2-[2-(2-methylpropylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-2-[[2-(isobutylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-chloro-4-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-(4-methylphenyl)-2-[[2-(2-methylpropylamino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-chloro-2-[[2-(isobutylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H25ClN2O3S MolecularWeight: 408.9421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O3S/c1-5-26-20(25)17-16(14-8-6-13(4)7-9-14)18(21)27-19(17)23-15(24)11-22-10-12(2)3/h6-9,12,22H,5,10-11H2,1-4H3,(H,23,24)