methyl (2R)-3-azanyl-2-(phenoxycarbonylcarbamothioyl)but-3-enoate

Systemtic Name: methyl (2R)-3-azanyl-2-(phenoxycarbonylcarbamothioyl)but-3-enoate Openeye Name: methyl (2R)-3-amino-2-(phenoxycarbonylcarbamothioyl)but-3-enoate CAS Name: (2R)-3-amino-2-[[[oxo(phenoxy)methyl]amino]-sulfanylidenemethyl]-3-butenoic acid methyl ester IUPAC Name: methyl (2R)-3-amino-2-(phenoxycarbonylcarbamothioyl)but-3-enoate Traditional Name: (2R)-3-amino-2-(carbophenoxythiocarbamoyl)but-3-enoic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=C)N)C(=S)NC(=O)OC1=CC=CC=C1

Isomeric SMILES

COC(=O)[C@@H](C(=C)N)C(=S)NC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C13H14N2O4S/c1-8(14)10(12(16)18-2)11(20)15-13(17)19-9-6-4-3-5-7-9/h3-7,10H,1,14H2,2H3,(H,15,17,20)/t10-/m0/s1