[(4S)-4-(4-methoxy-3-oxidanyl-phenyl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylethanoate

Systemtic Name: [(4S)-4-(4-methoxy-3-oxidanyl-phenyl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(4S)-4-(3-hydroxy-4-methoxy-phenyl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4S)-4-[anilino(oxo)methoxy]-4-(3-hydroxy-4-methoxyphenyl)butyl] ester IUPAC Name: [(4S)-4-(3-hydroxy-4-methoxyphenyl)-4-(phenylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4S)-4-(3-hydroxy-4-methoxy-phenyl)-4-(phenylcarbamoyloxy)butyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCOC(=O)CS)OC(=O)NC2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CCCOC(=O)CS)OC(=O)NC2=CC=CC=C2)O

InChI

InChI=1S/C20H23NO6S/c1-25-18-10-9-14(12-16(18)22)17(8-5-11-26-19(23)13-28)27-20(24)21-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17,22,28H,5,8,11,13H2,1H3,(H,21,24)/t17-/m0/s1