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

Systemtic Name: methyl 4,5-dimethyl-2-[(4-methyl-2-oxidanyl-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-hydroxy-4-methyl-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(2-hydroxy-4-methylanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-hydroxy-4-methylphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(2-hydroxy-4-methyl-phenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC)O

InChI

InChI=1S/C16H18N2O3S2/c1-8-5-6-11(12(19)7-8)17-16(22)18-14-13(15(20)21-4)9(2)10(3)23-14/h5-7,19H,1-4H3,(H2,17,18,22)