methyl 5-ethyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-isopropoxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-[oxo(propan-2-yloxy)methyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-isopropoxycarbonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S2/c1-5-14-10-15(18(23)24-4)16(27-14)21-19(26)20-13-8-6-12(7-9-13)17(22)25-11(2)3/h6-11H,5H2,1-4H3,(H2,20,21,26)