[(3S,4S)-4-(4-methoxy-3-oxidanyl-phenyl)-4-(naphthalen-1-ylcarbamoyloxy)-3-phenoxy-butyl] 2-sulfanylethanoate

Systemtic Name: [(3S,4S)-4-(4-methoxy-3-oxidanyl-phenyl)-4-(naphthalen-1-ylcarbamoyloxy)-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(3-hydroxy-4-methoxy-phenyl)-4-(1-naphthylcarbamoyloxy)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-(3-hydroxy-4-methoxyphenyl)-4-[(1-naphthalenylamino)-oxomethoxy]-3-phenoxybutyl] ester IUPAC Name: [(3S,4S)-4-(3-hydroxy-4-methoxyphenyl)-4-(naphthalen-1-ylcarbamoyloxy)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(3-hydroxy-4-methoxy-phenyl)-4-(1-naphthylcarbamoyloxy)-3-phenoxy-butyl] ester Formula: C30H29NO7S MolecularWeight: 547.61876

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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)NC3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]([C@H](CCOC(=O)CS)OC2=CC=CC=C2)OC(=O)NC3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C30H29NO7S/c1-35-26-15-14-21(18-25(26)32)29(27(16-17-36-28(33)19-39)37-22-10-3-2-4-11-22)38-30(34)31-24-13-7-9-20-8-5-6-12-23(20)24/h2-15,18,27,29,32,39H,16-17,19H2,1H3,(H,31,34)/t27-,29-/m0/s1