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

Systemtic Name: [(4R)-4-(naphthalen-1-ylcarbamoyloxy)-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-(4-hydroxy-1-naphthyl)-4-(1-naphthylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-(4-hydroxy-1-naphthalenyl)-4-[(1-naphthalenylamino)-oxomethoxy]butyl] ester IUPAC Name: [(4R)-4-(4-hydroxynaphthalen-1-yl)-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-(4-hydroxy-1-naphthyl)-4-(1-naphthylcarbamoyloxy)butyl] ester Formula: C27H25NO5S MolecularWeight: 475.5561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)OC(CCCOC(=O)CS)C3=CC=C(C4=CC=CC=C43)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)O[C@H](CCCOC(=O)CS)C3=CC=C(C4=CC=CC=C43)O

InChI

InChI=1S/C27H25NO5S/c29-24-15-14-22(20-10-3-4-11-21(20)24)25(13-6-16-32-26(30)17-34)33-27(31)28-23-12-5-8-18-7-1-2-9-19(18)23/h1-5,7-12,14-15,25,29,34H,6,13,16-17H2,(H,28,31)/t25-/m1/s1