ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3,4-dichloroanilino)-oxomethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3,4-dichlorophenyl)carbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H18Cl2N2O3S MolecularWeight: 449.35022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O3S/c1-3-28-20(26)18-17(13-7-5-4-6-8-13)12(2)29-19(18)25-21(27)24-14-9-10-15(22)16(23)11-14/h4-11H,3H2,1-2H3,(H2,24,25,27)