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

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[(4-methyl-2-oxidanyl-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-2-[(2-hydroxy-4-methyl-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[(2-hydroxy-4-methylanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-2-[(2-hydroxy-4-methylphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(2-hydroxy-4-methyl-phenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S2/c1-5-12-11(4)25-16(15(12)17(22)23-6-2)20-18(24)19-13-8-7-10(3)9-14(13)21/h7-9,21H,5-6H2,1-4H3,(H2,19,20,24)