2-[2-acetamido-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-[(2-methoxyphenyl)methyl]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-[(2-methoxyphenyl)methyl]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-[(2-methoxyphenyl)methyl]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-[(2-methoxyphenyl)methyl]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-[(2-methoxyphenyl)methyl]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-o-anisyl-acetamide Formula: C26H35N3O5S MolecularWeight: 501.6382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)CC3C(C2CC(=O)NCC4=CC=CC=C4OC)(CCC(C3(C)CO)O)C

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)CC3C(C2CC(=O)NCC4=CC=CC=C4OC)(CCC(C3(C)CO)O)C

InChI

InChI=1S/C26H35N3O5S/c1-15(31)28-24-29-23-17(11-22(33)27-13-16-7-5-6-8-18(16)34-4)25(2)10-9-21(32)26(3,14-30)20(25)12-19(23)35-24/h5-8,17,20-21,30,32H,9-14H2,1-4H3,(H,27,33)(H,28,29,31)