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

Systemtic Name: ethyl 2-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3,5-dichloro-4-hydroxy-phenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3,5-dichloro-4-hydroxyanilino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dichloro-4-hydroxyphenyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(3,5-dichloro-4-hydroxy-phenyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H18Cl2N2O3S2 MolecularWeight: 433.37242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NC2=CC(=C(C(=C2)Cl)O)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NC2=CC(=C(C(=C2)Cl)O)Cl)C

InChI

InChI=1S/C17H18Cl2N2O3S2/c1-4-10-8(3)26-15(13(10)16(23)24-5-2)21-17(25)20-9-6-11(18)14(22)12(19)7-9/h6-7,22H,4-5H2,1-3H3,(H2,20,21,25)