methyl 2-(2-methoxyethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-methoxyethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(2-methoxyethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(2-methoxyethylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(2-methoxyethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(2-methoxyethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COCCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H20N2O3S2/c1-21-9-8-18-17(23)19-15-14(16(20)22-2)11-13(24-15)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,18,19,23)