3-azanylidene-1-ethoxy-2-[(phenylmethyl)carbamothioyl]but-1-en-1-olate

Systemtic Name: 3-azanylidene-1-ethoxy-2-[(phenylmethyl)carbamothioyl]but-1-en-1-olate Openeye Name: 2-(benzylcarbamothioyl)-1-ethoxy-3-imino-but-1-en-1-olate CAS Name: 1-ethoxy-3-imino-2-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1-buten-1-olate IUPAC Name: 2-(benzylcarbamothioyl)-1-ethoxy-3-iminobut-1-en-1-olate Traditional Name: 2-(benzylthiocarbamoyl)-1-ethoxy-3-imino-but-1-en-1-olate Formula: C14H17N2O2S- MolecularWeight: 277.36198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=N)C)C(=S)NCC1=CC=CC=C1)[O-]

Isomeric SMILES

CCOC(=C(C(=N)C)C(=S)NCC1=CC=CC=C1)[O-]

InChI

InChI=1S/C14H18N2O2S/c1-3-18-14(17)12(10(2)15)13(19)16-9-11-7-5-4-6-8-11/h4-8,15,17H,3,9H2,1-2H3,(H,16,19)/p-1