ethyl 3-azanyl-2-(1-ethoxy-2-ethylsulfanyl-1-oxidanylidene-propan-2-yl)benzoate

Systemtic Name: ethyl 3-azanyl-2-(1-ethoxy-2-ethylsulfanyl-1-oxidanylidene-propan-2-yl)benzoate Openeye Name: ethyl 3-amino-2-(2-ethoxy-1-ethylsulfanyl-1-methyl-2-oxo-ethyl)benzoate CAS Name: 3-amino-2-[1-ethoxy-2-(ethylthio)-1-oxopropan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 3-amino-2-(1-ethoxy-2-ethylsulfanyl-1-oxopropan-2-yl)benzoate Traditional Name: 3-amino-2-[2-ethoxy-1-(ethylthio)-2-keto-1-methyl-ethyl]benzoic acid ethyl ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)N)C(C)(C(=O)OCC)SCC

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)N)C(C)(C(=O)OCC)SCC

InChI

InChI=1S/C16H23NO4S/c1-5-20-14(18)11-9-8-10-12(17)13(11)16(4,22-7-3)15(19)21-6-2/h8-10H,5-7,17H2,1-4H3