[(3S,4S)-4-(4-methoxy-3-oxidanyl-phenyl)-3-phenoxy-4-(phenylcarbonylcarbamoyloxy)butyl] 2-sulfanylethanoate

Systemtic Name: [(3S,4S)-4-(4-methoxy-3-oxidanyl-phenyl)-3-phenoxy-4-(phenylcarbonylcarbamoyloxy)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(benzoylcarbamoyloxy)-4-(3-hydroxy-4-methoxy-phenyl)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[benzamido(oxo)methoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-phenoxybutyl] ester IUPAC Name: [(3S,4S)-4-(benzoylcarbamoyloxy)-4-(3-hydroxy-4-methoxyphenyl)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(benzoylcarbamoyloxy)-4-(3-hydroxy-4-methoxy-phenyl)-3-phenoxy-butyl] ester Formula: C27H27NO8S MolecularWeight: 525.57018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(CCOC(=O)CS)OC2=CC=CC=C2)OC(=O)NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]([C@H](CCOC(=O)CS)OC2=CC=CC=C2)OC(=O)NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C27H27NO8S/c1-33-22-13-12-19(16-21(22)29)25(36-27(32)28-26(31)18-8-4-2-5-9-18)23(14-15-34-24(30)17-37)35-20-10-6-3-7-11-20/h2-13,16,23,25,29,37H,14-15,17H2,1H3,(H,28,31,32)/t23-,25-/m0/s1