2-[2-acetamido-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(3-hydroxyphenyl)ethanamide

Systemtic Name: 2-[2-acetamido-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(3-hydroxyphenyl)ethanamide Openeye Name: 2-[2-acetamido-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(3-hydroxyphenyl)acetamide CAS Name: 2-[2-acetamido-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(3-hydroxyphenyl)acetamide IUPAC Name: 2-[2-acetamido-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(3-hydroxyphenyl)acetamide Traditional Name: 2-(2-acetamido-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl)-N-(3-hydroxyphenyl)acetamide Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)CC3C(C2CC(=O)NC4=CC(=CC=C4)O)(CCC(C3(C)CO)O)C

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)CC3C(C2CC(=O)NC4=CC(=CC=C4)O)(CCC(C3(C)CO)O)C

InChI

InChI=1S/C24H31N3O5S/c1-13(29)25-22-27-21-16(10-20(32)26-14-5-4-6-15(30)9-14)23(2)8-7-19(31)24(3,12-28)18(23)11-17(21)33-22/h4-6,9,16,18-19,28,30-31H,7-8,10-12H2,1-3H3,(H,26,32)(H,25,27,29)