methyl 3-azanylidene-2-(phenoxycarbonylcarbamothioyl)butanoate

Systemtic Name: methyl 3-azanylidene-2-(phenoxycarbonylcarbamothioyl)butanoate Openeye Name: methyl 3-imino-2-(phenoxycarbonylcarbamothioyl)butanoate CAS Name: 3-imino-2-[[[oxo(phenoxy)methyl]amino]-sulfanylidenemethyl]butanoic acid methyl ester IUPAC Name: methyl 3-imino-2-(phenoxycarbonylcarbamothioyl)butanoate Traditional Name: 2-(carbophenoxythiocarbamoyl)-3-imino-butyric acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h3-7,10,14H,1-2H3,(H,15,17,20)