[azanyl(sulfanyl)methylidene]azanium; (phenylmethyl) (E)-but-2-enoate

Systemtic Name: [azanyl(sulfanyl)methylidene]azanium; (phenylmethyl) (E)-but-2-enoate Openeye Name: [amino(sulfanyl)methylene]ammonium; benzyl (E)-but-2-enoate CAS Name: [amino(mercapto)methylidene]ammonium; (E)-2-butenoic acid (phenylmethyl) ester IUPAC Name: [amino(sulfanyl)methylidene]azanium; benzyl (E)-but-2-enoate Traditional Name: [amino(mercapto)methylene]ammonium; (E)-but-2-enoic acid benzyl ester Formula: C12H17N2O2S+ MolecularWeight: 253.34058

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC1=CC=CC=C1.C(=[NH2+])(N)S

Isomeric SMILES

C/C=C/C(=O)OCC1=CC=CC=C1.C(=[NH2+])(N)S

InChI

InChI=1S/C11H12O2.CH4N2S/c1-2-6-11(12)13-9-10-7-4-3-5-8-10;2-1(3)4/h2-8H,9H2,1H3;(H4,2,3,4)/p+1/b6-2+;