[(3S,4S)-3-methyl-4-[(4-methylphenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate

Systemtic Name: [(3S,4S)-3-methyl-4-[(4-methylphenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(4-hydroxy-1-naphthyl)-3-methyl-4-(p-tolylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-(4-hydroxy-1-naphthalenyl)-3-methyl-4-[(4-methylanilino)-oxomethoxy]butyl] ester IUPAC Name: [(3S,4S)-4-(4-hydroxynaphthalen-1-yl)-3-methyl-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(4-hydroxy-1-naphthyl)-3-methyl-4-(p-tolylcarbamoyloxy)butyl] ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)OC(C2=CC=C(C3=CC=CC=C32)O)C(C)CCOC(=O)CS

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)O[C@H](C2=CC=C(C3=CC=CC=C32)O)[C@@H](C)CCOC(=O)CS

InChI

InChI=1S/C25H27NO5S/c1-16-7-9-18(10-8-16)26-25(29)31-24(17(2)13-14-30-23(28)15-32)21-11-12-22(27)20-6-4-3-5-19(20)21/h3-12,17,24,27,32H,13-15H2,1-2H3,(H,26,29)/t17-,24-/m0/s1