methyl 3-[(3-chlorophenyl)carbonylamino]-5-(4-ethoxyphenyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-[(3-chlorophenyl)carbonylamino]-5-(4-ethoxyphenyl)thiophene-2-carboxylate Openeye Name: methyl 3-[(3-chlorobenzoyl)amino]-5-(4-ethoxyphenyl)thiophene-2-carboxylate CAS Name: 3-[[(3-chlorophenyl)-oxomethyl]amino]-5-(4-ethoxyphenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-chlorobenzoyl)amino]-5-(4-ethoxyphenyl)thiophene-2-carboxylate Traditional Name: 3-[(3-chlorobenzoyl)amino]-5-p-phenetyl-thiophene-2-carboxylic acid methyl ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H18ClNO4S/c1-3-27-16-9-7-13(8-10-16)18-12-17(19(28-18)21(25)26-2)23-20(24)14-5-4-6-15(22)11-14/h4-12H,3H2,1-2H3,(H,23,24)