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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)Cl

InChI

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