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

Systemtic Name: [(3R,4S)-3-methyl-4-(naphthalen-1-ylcarbamoyloxy)-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4S)-4-(4-hydroxy-1-naphthyl)-3-methyl-4-(1-naphthylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4S)-4-(4-hydroxy-1-naphthalenyl)-3-methyl-4-[(1-naphthalenylamino)-oxomethoxy]butyl] ester IUPAC Name: [(3R,4S)-4-(4-hydroxynaphthalen-1-yl)-3-methyl-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4S)-4-(4-hydroxy-1-naphthyl)-3-methyl-4-(1-naphthylcarbamoyloxy)butyl] ester Formula: C28H27NO5S MolecularWeight: 489.58268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[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/C28H27NO5S/c1-18(15-16-33-26(31)17-35)27(23-13-14-25(30)22-11-5-4-10-21(22)23)34-28(32)29-24-12-6-8-19-7-2-3-9-20(19)24/h2-14,18,27,30,35H,15-17H2,1H3,(H,29,32)/t18-,27+/m1/s1