methyl 2-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3,5-dichloro-4-hydroxy-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(3,5-dichloro-4-hydroxyanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dichloro-4-hydroxyphenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(3,5-dichloro-4-hydroxy-phenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H14Cl2N2O3S2 MolecularWeight: 405.31926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC(=C(C(=C2)Cl)O)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC(=C(C(=C2)Cl)O)Cl)C(=O)OC

InChI

InChI=1S/C15H14Cl2N2O3S2/c1-3-8-6-9(14(21)22-2)13(24-8)19-15(23)18-7-4-10(16)12(20)11(17)5-7/h4-6,20H,3H2,1-2H3,(H2,18,19,23)