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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(\C(=S)NC(=O)OC1=CC=CC=C1)/C(=O)OC)/N

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/h3-7H,14H2,1-2H3,(H,15,17,20)/b10-8-