ethyl 2-(1,2-oxazol-3-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,2-oxazol-3-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(isoxazol-3-ylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,2-oxazol-3-ylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(isoxazol-3-ylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H15N3O3S2 MolecularWeight: 373.4493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NOC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NOC=C3

InChI

InChI=1S/C17H15N3O3S2/c1-2-22-16(21)12-10-13(11-6-4-3-5-7-11)25-15(12)19-17(24)18-14-8-9-23-20-14/h3-10H,2H2,1H3,(H2,18,19,20,24)