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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OCC(=O)NC3CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OCC(=O)NC3CC3)C

InChI

InChI=1S/C21H23NO3S/c1-14-6-9-19(15(2)10-14)26-13-16-4-3-5-17(11-16)21(24)25-12-20(23)22-18-7-8-18/h3-6,9-11,18H,7-8,12-13H2,1-2H3,(H,22,23)