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

Systemtic Name: ethyl 4-cyano-5-[(3,4-dichlorophenyl)carbamoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(3,4-dichlorophenyl)carbamoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[(3,4-dichloroanilino)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[(3,4-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(3,4-dichlorophenyl)carbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H13Cl2N3O3S MolecularWeight: 398.26372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)C#N)C

InChI

InChI=1S/C16H13Cl2N3O3S/c1-3-24-15(22)13-8(2)10(7-19)14(25-13)21-16(23)20-9-4-5-11(17)12(18)6-9/h4-6H,3H2,1-2H3,(H2,20,21,23)