methyl 2-[2-(4-chloranylphenoxy)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-chloranylphenoxy)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO4S/c1-13-3-5-14(6-4-13)17-12-28-20(19(17)21(25)26-2)23-18(24)11-27-16-9-7-15(22)8-10-16/h3-10,12H,11H2,1-2H3,(H,23,24)