ethyl 2-[(3-chlorophenyl)carbamoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chlorophenyl)carbamoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chlorophenyl)carbamoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-chloroanilino)-oxomethyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chlorophenyl)carbamoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-chlorophenyl)carbamoylamino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-3-28-17-10-8-14(9-11-17)18-13-30-20(19(18)21(26)29-4-2)25-22(27)24-16-7-5-6-15(23)12-16/h5-13H,3-4H2,1-2H3,(H2,24,25,27)