[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-(hydroxymethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 4-(hydroxymethyl)benzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC=C(C=C2)CO

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC=C(C=C2)CO

InChI

InChI=1S/C19H21NO4S/c21-12-15-6-8-17(9-7-15)19(23)24-13-18(22)20-10-11-25-14-16-4-2-1-3-5-16/h1-9,21H,10-14H2,(H,20,22)