ethyl 5-methyl-4-phenyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(allylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC=C

InChI

InChI=1S/C18H20N2O2S2/c1-4-11-19-18(23)20-16-15(17(21)22-5-2)14(12(3)24-16)13-9-7-6-8-10-13/h4,6-10H,1,5,11H2,2-3H3,(H2,19,20,23)