[(3S,4S)-4-[(4-ethanoylphenyl)carbamoyloxy]-3-ethoxy-4-(4-hydroxyphenyl)butyl] 2-sulfanylethanoate

Systemtic Name: [(3S,4S)-4-[(4-ethanoylphenyl)carbamoyloxy]-3-ethoxy-4-(4-hydroxyphenyl)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-[(4-acetylphenyl)carbamoyloxy]-3-ethoxy-4-(4-hydroxyphenyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-acetylanilino)-oxomethoxy]-3-ethoxy-4-(4-hydroxyphenyl)butyl] ester IUPAC Name: [(3S,4S)-4-[(4-acetylphenyl)carbamoyloxy]-3-ethoxy-4-(4-hydroxyphenyl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-acetylphenyl)carbamoyloxy]-3-ethoxy-4-(4-hydroxyphenyl)butyl] ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCOC(=O)CS)C(C1=CC=C(C=C1)O)OC(=O)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCO[C@@H](CCOC(=O)CS)[C@H](C1=CC=C(C=C1)O)OC(=O)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C23H27NO7S/c1-3-29-20(12-13-30-21(27)14-32)22(17-6-10-19(26)11-7-17)31-23(28)24-18-8-4-16(5-9-18)15(2)25/h4-11,20,22,26,32H,3,12-14H2,1-2H3,(H,24,28)/t20-,22-/m0/s1