methyl 4-ethyl-5-methyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[propylamino(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(propylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C13H20N2O2S2 MolecularWeight: 300.4401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C(=C(S1)C)CC)C(=O)OC

Isomeric SMILES

CCCNC(=S)NC1=C(C(=C(S1)C)CC)C(=O)OC

InChI

InChI=1S/C13H20N2O2S2/c1-5-7-14-13(18)15-11-10(12(16)17-4)9(6-2)8(3)19-11/h5-7H2,1-4H3,(H2,14,15,18)