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

Systemtic Name: [(3S,4S)-3-methyl-4-[(4-methylsulfanylphenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(4-hydroxy-1-naphthyl)-3-methyl-4-[(4-methylsulfanylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-(4-hydroxy-1-naphthalenyl)-3-methyl-4-[[4-(methylthio)anilino]-oxomethoxy]butyl] ester IUPAC Name: [(3S,4S)-4-(4-hydroxynaphthalen-1-yl)-3-methyl-4-[(4-methylsulfanylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(4-hydroxy-1-naphthyl)-3-methyl-4-[[4-(methylthio)phenyl]carbamoyloxy]butyl] ester Formula: C25H27NO5S2 MolecularWeight: 485.61558

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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=C(C=C3)SC

Isomeric SMILES

C[C@@H](CCOC(=O)CS)[C@@H](C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C25H27NO5S2/c1-16(13-14-30-23(28)15-32)24(21-11-12-22(27)20-6-4-3-5-19(20)21)31-25(29)26-17-7-9-18(33-2)10-8-17/h3-12,16,24,27,32H,13-15H2,1-2H3,(H,26,29)/t16-,24-/m0/s1