azanium 1,3-benzoxazol-2-ylsulfanyl 4-(ethylamino)-4-oxidanylidene-butanoate

Systemtic Name: azanium 1,3-benzoxazol-2-ylsulfanyl 4-(ethylamino)-4-oxidanylidene-butanoate Openeye Name: ammonium 1,3-benzoxazol-2-ylsulfanyl 4-(ethylamino)-4-oxo-butanoate CAS Name: ammonium 4-(ethylamino)-4-oxobutanoic acid (1,3-benzoxazol-2-ylthio) ester IUPAC Name: azanium 1,3-benzoxazol-2-ylsulfanyl 4-(ethylamino)-4-oxobutanoate Traditional Name: ammonium 4-(ethylamino)-4-keto-butyric acid (1,3-benzoxazol-2-ylthio) ester Formula: C13H18N3O4S+ MolecularWeight: 312.36472

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CCC(=O)OSC1=NC2=CC=CC=C2O1.[NH4+]

Isomeric SMILES

CCNC(=O)CCC(=O)OSC1=NC2=CC=CC=C2O1.[NH4+]

InChI

InChI=1S/C13H14N2O4S.H3N/c1-2-14-11(16)7-8-12(17)19-20-13-15-9-5-3-4-6-10(9)18-13;/h3-6H,2,7-8H2,1H3,(H,14,16);1H3/p+1