(3-propan-2-ylphenyl) 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: (3-propan-2-ylphenyl) 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: (3-isopropylphenyl) 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid m-cumenyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC(=O)C2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC(=O)C2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C18H19NO3S/c1-12(2)13-6-5-7-14(10-13)22-18(21)15-8-3-4-9-16(15)23-11-17(19)20/h3-10,12H,11H2,1-2H3,(H2,19,20)