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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO4S/c1-26-21(25)18-12-17(11-14-5-3-2-4-6-14)28-20(18)23-19(24)13-27-16-9-7-15(22)8-10-16/h2-10,12H,11,13H2,1H3,(H,23,24)