butyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: butyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: butyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid butyl ester IUPAC Name: butyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid butyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1SCC(=O)N

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1SCC(=O)N

InChI

InChI=1S/C13H17NO3S/c1-2-3-8-17-13(16)10-6-4-5-7-11(10)18-9-12(14)15/h4-7H,2-3,8-9H2,1H3,(H2,14,15)