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

Systemtic Name: [(4S)-3,3-dimethyl-4-(naphthalen-1-ylcarbamoyloxy)-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(4S)-4-(4-hydroxy-1-naphthyl)-3,3-dimethyl-4-(1-naphthylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4S)-4-(4-hydroxy-1-naphthalenyl)-3,3-dimethyl-4-[(1-naphthalenylamino)-oxomethoxy]butyl] ester IUPAC Name: [(4S)-4-(4-hydroxynaphthalen-1-yl)-3,3-dimethyl-4-(naphthalen-1-ylcarbamoyloxy)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4S)-4-(4-hydroxy-1-naphthyl)-3,3-dimethyl-4-(1-naphthylcarbamoyloxy)butyl] ester Formula: C29H29NO5S MolecularWeight: 503.60926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29NO5S/c1-29(2,16-17-34-26(32)18-36)27(23-14-15-25(31)22-12-6-5-11-21(22)23)35-28(33)30-24-13-7-9-19-8-3-4-10-20(19)24/h3-15,27,31,36H,16-18H2,1-2H3,(H,30,33)/t27-/m1/s1