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

Systemtic Name: methyl 2-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-chloro-2-hydroxy-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-hydroxyanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-hydroxyphenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-hydroxy-phenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H15ClN2O3S2 MolecularWeight: 370.8742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O3S2/c1-3-9-7-10(14(20)21-2)13(23-9)18-15(22)17-11-6-8(16)4-5-12(11)19/h4-7,19H,3H2,1-2H3,(H2,17,18,22)