[(3R)-3-ethoxycarbonyl-4-[(phenylmethyl)amino]-4-sulfanylidene-butan-2-ylidene]azanium

Systemtic Name: [(3R)-3-ethoxycarbonyl-4-[(phenylmethyl)amino]-4-sulfanylidene-butan-2-ylidene]azanium Openeye Name: [(2R)-2-(benzylcarbamothioyl)-3-ethoxy-1-methyl-3-oxo-propylidene]ammonium CAS Name: [(3R)-3-ethoxycarbonyl-4-[(phenylmethyl)amino]-4-sulfanylidenebutan-2-ylidene]ammonium IUPAC Name: [(3R)-3-(benzylcarbamothioyl)-4-ethoxy-4-oxobutan-2-ylidene]azanium Traditional Name: [(2R)-2-(benzylthiocarbamoyl)-3-ethoxy-3-keto-1-methyl-propylidene]ammonium Formula: C14H19N2O2S+ MolecularWeight: 279.37786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=[NH2+])C)C(=S)NCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@@H](C(=[NH2+])C)C(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C14H18N2O2S/c1-3-18-14(17)12(10(2)15)13(19)16-9-11-7-5-4-6-8-11/h4-8,12,15H,3,9H2,1-2H3,(H,16,19)/p+1/t12-/m0/s1