[(3S,4S)-4-[(4-ethanoylphenyl)carbamoyloxy]-3-ethoxy-4-(4-methoxy-3-oxidanyl-phenyl)butyl] 2-sulfanylethanoate

Systemtic Name: [(3S,4S)-4-[(4-ethanoylphenyl)carbamoyloxy]-3-ethoxy-4-(4-methoxy-3-oxidanyl-phenyl)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-[(4-acetylphenyl)carbamoyloxy]-3-ethoxy-4-(3-hydroxy-4-methoxy-phenyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-acetylanilino)-oxomethoxy]-3-ethoxy-4-(3-hydroxy-4-methoxyphenyl)butyl] ester IUPAC Name: [(3S,4S)-4-[(4-acetylphenyl)carbamoyloxy]-3-ethoxy-4-(3-hydroxy-4-methoxyphenyl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-acetylphenyl)carbamoyloxy]-3-ethoxy-4-(3-hydroxy-4-methoxy-phenyl)butyl] ester Formula: C24H29NO8S MolecularWeight: 491.55396

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H29NO8S/c1-4-31-21(11-12-32-22(28)14-34)23(17-7-10-20(30-3)19(27)13-17)33-24(29)25-18-8-5-16(6-9-18)15(2)26/h5-10,13,21,23,27,34H,4,11-12,14H2,1-3H3,(H,25,29)/t21-,23-/m0/s1