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

Systemtic Name: methyl 2-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-chloro-2-hydroxy-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-hydroxyanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-hydroxyphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-hydroxy-phenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H13ClN2O3S2 MolecularWeight: 356.84762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=C(C=CC(=C2)Cl)O)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=C(C=CC(=C2)Cl)O)C(=O)OC

InChI

InChI=1S/C14H13ClN2O3S2/c1-7-5-9(13(19)20-2)12(22-7)17-14(21)16-10-6-8(15)3-4-11(10)18/h3-6,18H,1-2H3,(H2,16,17,21)