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

Systemtic Name: [(3S,4S)-3-ethoxy-4-[(4-methylphenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-3-ethoxy-4-(4-hydroxy-1-naphthyl)-4-(p-tolylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-3-ethoxy-4-(4-hydroxy-1-naphthalenyl)-4-[(4-methylanilino)-oxomethoxy]butyl] ester IUPAC Name: [(3S,4S)-3-ethoxy-4-(4-hydroxynaphthalen-1-yl)-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-3-ethoxy-4-(4-hydroxy-1-naphthyl)-4-(p-tolylcarbamoyloxy)butyl] ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCOC(=O)CS)C(C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO6S/c1-3-31-23(14-15-32-24(29)16-34)25(33-26(30)27-18-10-8-17(2)9-11-18)21-12-13-22(28)20-7-5-4-6-19(20)21/h4-13,23,25,28,34H,3,14-16H2,1-2H3,(H,27,30)/t23-,25-/m0/s1