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

Systemtic Name: [(4S)-4-[(4-ethanoylphenyl)carbamoyloxy]-3,3-dimethyl-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(4S)-4-[(4-acetylphenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)-3,3-dimethyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4S)-4-[(4-acetylanilino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)-3,3-dimethylbutyl] ester IUPAC Name: [(4S)-4-[(4-acetylphenyl)carbamoyloxy]-4-(4-hydroxynaphthalen-1-yl)-3,3-dimethylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4S)-4-[(4-acetylphenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)-3,3-dimethyl-butyl] ester Formula: C27H29NO6S MolecularWeight: 495.58726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO6S/c1-17(29)18-8-10-19(11-9-18)28-26(32)34-25(27(2,3)14-15-33-24(31)16-35)22-12-13-23(30)21-7-5-4-6-20(21)22/h4-13,25,30,35H,14-16H2,1-3H3,(H,28,32)/t25-/m1/s1