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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=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)17-12-6-5-9(2)7-13(12)19/h5-8,19H,4H2,1-3H3,(H2,17,18,22)