ethyl 5-[(5-chloranyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(5-chloranyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(5-chloro-2-methoxy-benzoyl)carbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[(5-chloro-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-chloro-2-methoxybenzoyl)carbamothioylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(5-chloro-2-methoxy-benzoyl)thiocarbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H16ClN3O4S2 MolecularWeight: 437.92034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4S2/c1-4-26-17(24)14-9(2)12(8-20)16(28-14)22-18(27)21-15(23)11-7-10(19)5-6-13(11)25-3/h5-7H,4H2,1-3H3,(H2,21,22,23,27)