methyl 5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-[(E)-2-cyano-1-methyl-vinyl]-4-methyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-2-(phenylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-[(E)-2-cyano-1-methyl-vinyl]-4-methyl-2-(phenylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2)C(=CC#N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2)/C(=C/C#N)/C

InChI

InChI=1S/C18H17N3O2S2/c1-11(9-10-19)15-12(2)14(17(22)23-3)16(25-15)21-18(24)20-13-7-5-4-6-8-13/h4-9H,1-3H3,(H2,20,21,24)/b11-9+