(phenylmethyl) 2-[(4-chloranyl-3-oxidanylidene-butan-2-yl)amino]sulfanylbenzoate

Systemtic Name: (phenylmethyl) 2-[(4-chloranyl-3-oxidanylidene-butan-2-yl)amino]sulfanylbenzoate Openeye Name: benzyl 2-[(3-chloro-1-methyl-2-oxo-propyl)amino]sulfanylbenzoate CAS Name: 2-[[(4-chloro-3-oxobutan-2-yl)amino]thio]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-chloro-3-oxobutan-2-yl)amino]sulfanylbenzoate Traditional Name: 2-[[(3-chloro-2-keto-1-methyl-propyl)amino]thio]benzoic acid benzyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCl)NSC1=CC=CC=C1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)CCl)NSC1=CC=CC=C1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H18ClNO3S/c1-13(16(21)11-19)20-24-17-10-6-5-9-15(17)18(22)23-12-14-7-3-2-4-8-14/h2-10,13,20H,11-12H2,1H3