(2-azanyl-2-oxidanylidene-ethyl) 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: (2-amino-2-oxo-ethyl) 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OCC(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OCC(=O)N)C

InChI

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