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

Systemtic Name: N-(2-acetamidoethyl)-2-[8-(hydroxymethyl)-2-[(3-hydroxyphenyl)amino]-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]ethanamide Openeye Name: N-(2-acetamidoethyl)-2-[7-hydroxy-2-(3-hydroxyanilino)-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetamide CAS Name: N-(2-acetamidoethyl)-2-[7-hydroxy-2-(3-hydroxyanilino)-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetamide IUPAC Name: N-(2-acetamidoethyl)-2-[7-hydroxy-2-(3-hydroxyanilino)-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetamide Traditional Name: N-(2-acetamidoethyl)-2-[7-hydroxy-2-(3-hydroxyanilino)-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetamide Formula: C26H36N4O5S MolecularWeight: 516.65284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)CC1C2=C(CC3C1(CCC(C3(C)CO)O)C)SC(=N2)NC4=CC(=CC=C4)O

Isomeric SMILES

CC(=O)NCCNC(=O)CC1C2=C(CC3C1(CCC(C3(C)CO)O)C)SC(=N2)NC4=CC(=CC=C4)O

InChI

InChI=1S/C26H36N4O5S/c1-15(32)27-9-10-28-22(35)12-18-23-19(36-24(30-23)29-16-5-4-6-17(33)11-16)13-20-25(18,2)8-7-21(34)26(20,3)14-31/h4-6,11,18,20-21,31,33-34H,7-10,12-14H2,1-3H3,(H,27,32)(H,28,35)(H,29,30)