(2-azanyl-2-oxidanylidene-ethyl) 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N

InChI

InChI=1S/C12H13NO4S/c1-8(14)7-18-10-5-3-2-4-9(10)12(16)17-6-11(13)15/h2-5H,6-7H2,1H3,(H2,13,15)