methyl (E)-3-azanyl-2-(phenylcarbamothioyl)but-2-enoate

Systemtic Name: methyl (E)-3-azanyl-2-(phenylcarbamothioyl)but-2-enoate Openeye Name: methyl (E)-3-amino-2-(phenylcarbamothioyl)but-2-enoate CAS Name: (E)-3-amino-2-[anilino(sulfanylidene)methyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-amino-2-(phenylcarbamothioyl)but-2-enoate Traditional Name: (E)-3-amino-2-(phenylthiocarbamoyl)but-2-enoic acid methyl ester Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=S)NC1=CC=CC=C1)C(=O)OC)N

Isomeric SMILES

C/C(=C(\C(=S)NC1=CC=CC=C1)/C(=O)OC)/N

InChI

InChI=1S/C12H14N2O2S/c1-8(13)10(12(15)16-2)11(17)14-9-6-4-3-5-7-9/h3-7H,13H2,1-2H3,(H,14,17)/b10-8-