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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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