[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-propan-2-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3S/c1-16(2)18-8-10-19(11-9-18)21(24)25-14-20(23)22-12-13-26-15-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,22,23)