ethyl 2-(2-methylprop-2-enylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-methylprop-2-enylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(2-methylallylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylprop-2-enylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(2-methylallylthiocarbamoylamino)-5-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(=C1)C2=CC=CC=C2)NC(=S)NCC(=C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S2/c1-4-22-17(21)14-10-15(13-8-6-5-7-9-13)24-16(14)20-18(23)19-11-12(2)3/h5-10H,2,4,11H2,1,3H3,(H2,19,20,23)