methyl 2-[2-(2-chloranylphenoxy)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-chloranylphenoxy)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-chlorophenoxy)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-chlorophenoxy)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC2=CC=CC=C2Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC2=CC=CC=C2Cl)C(=O)OC)C3=CC=CC=C3

InChI

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