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

Systemtic Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-3-methoxy-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)-3-methoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-cyanoanilino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)-3-methoxybutyl] ester IUPAC Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-hydroxynaphthalen-1-yl)-3-methoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)-3-methoxy-butyl] ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O6S/c1-31-22(12-13-32-23(29)15-34)24(20-10-11-21(28)19-5-3-2-4-18(19)20)33-25(30)27-17-8-6-16(14-26)7-9-17/h2-11,22,24,28,34H,12-13,15H2,1H3,(H,27,30)/t22-,24-/m0/s1