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

Systemtic Name: methyl 5-methyl-4-phenyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(allylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCC=C)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCC=C)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C17H18N2O2S2/c1-4-10-18-17(22)19-15-14(16(20)21-3)13(11(2)23-15)12-8-6-5-7-9-12/h4-9H,1,10H2,2-3H3,(H2,18,19,22)