[2-acetamido-2-(acetyloxymethyl)-4-[2-chloranyl-4-(3-hydroxyphenyl)sulfanyl-phenyl]butyl] ethanoate

Systemtic Name: [2-acetamido-2-(acetyloxymethyl)-4-[2-chloranyl-4-(3-hydroxyphenyl)sulfanyl-phenyl]butyl] ethanoate Openeye Name: [2-acetamido-2-(acetoxymethyl)-4-[2-chloro-4-(3-hydroxyphenyl)sulfanyl-phenyl]butyl] acetate CAS Name: acetic acid [2-acetamido-2-(acetyloxymethyl)-4-[2-chloro-4-[(3-hydroxyphenyl)thio]phenyl]butyl] ester IUPAC Name: [2-acetamido-2-(acetyloxymethyl)-4-[2-chloro-4-(3-hydroxyphenyl)sulfanylphenyl]butyl] acetate Traditional Name: acetic acid [2-acetamido-2-(acetoxymethyl)-4-[2-chloro-4-[(3-hydroxyphenyl)thio]phenyl]butyl] ester Formula: C23H26ClNO6S MolecularWeight: 479.97364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)O)Cl)(COC(=O)C)COC(=O)C

Isomeric SMILES

CC(=O)NC(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)O)Cl)(COC(=O)C)COC(=O)C

InChI

InChI=1S/C23H26ClNO6S/c1-15(26)25-23(13-30-16(2)27,14-31-17(3)28)10-9-18-7-8-21(12-22(18)24)32-20-6-4-5-19(29)11-20/h4-8,11-12,29H,9-10,13-14H2,1-3H3,(H,25,26)