[(3R,4R)-3-methoxy-4-(naphthalen-1-ylcarbamoyloxy)-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate

Systemtic Name: [(3R,4R)-3-methoxy-4-(naphthalen-1-ylcarbamoyloxy)-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(4-hydroxy-1-naphthyl)-3-methoxy-4-(1-naphthylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-(4-hydroxy-1-naphthalenyl)-3-methoxy-4-[(1-naphthalenylamino)-oxomethoxy]butyl] ester IUPAC Name: [(3R,4R)-4-(4-hydroxynaphthalen-1-yl)-3-methoxy-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(4-hydroxy-1-naphthyl)-3-methoxy-4-(1-naphthylcarbamoyloxy)butyl] ester Formula: C28H27NO6S MolecularWeight: 505.58208

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCOC(=O)CS)C(C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CO[C@H](CCOC(=O)CS)[C@@H](C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H27NO6S/c1-33-25(15-16-34-26(31)17-36)27(22-13-14-24(30)21-11-5-4-10-20(21)22)35-28(32)29-23-12-6-8-18-7-2-3-9-19(18)23/h2-14,25,27,30,36H,15-17H2,1H3,(H,29,32)/t25-,27-/m1/s1