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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C#N)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C#N)Cl

InChI

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