[(4S)-4-(4-hydroxyphenyl)-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylethanoate

Systemtic Name: [(4S)-4-(4-hydroxyphenyl)-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylethanoate Openeye Name: [(4S)-4-(4-hydroxyphenyl)-4-(p-tolylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4S)-4-(4-hydroxyphenyl)-4-[(4-methylanilino)-oxomethoxy]butyl] ester IUPAC Name: [(4S)-4-(4-hydroxyphenyl)-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4S)-4-(4-hydroxyphenyl)-4-(p-tolylcarbamoyloxy)butyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)OC(CCCOC(=O)CS)C2=CC=C(C=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)O[C@@H](CCCOC(=O)CS)C2=CC=C(C=C2)O

InChI

InChI=1S/C20H23NO5S/c1-14-4-8-16(9-5-14)21-20(24)26-18(3-2-12-25-19(23)13-27)15-6-10-17(22)11-7-15/h4-11,18,22,27H,2-3,12-13H2,1H3,(H,21,24)/t18-/m0/s1