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

Systemtic Name: N-(2-acetamidoethyl)-2-[8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-2-(prop-2-enylamino)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]ethanamide Openeye Name: N-(2-acetamidoethyl)-2-[2-(allylamino)-7-hydroxy-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-8-(hydroxymethyl)-4a,8-dimethyl-2-(prop-2-enylamino)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetamide IUPAC Name: N-(2-acetamidoethyl)-2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(prop-2-enylamino)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetamide Traditional Name: N-(2-acetamidoethyl)-2-[2-(allylamino)-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetamide Formula: C23H36N4O4S MolecularWeight: 464.62134

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O4S/c1-5-8-26-21-27-20-15(11-19(31)25-10-9-24-14(2)29)22(3)7-6-18(30)23(4,13-28)17(22)12-16(20)32-21/h5,15,17-18,28,30H,1,6-13H2,2-4H3,(H,24,29)(H,25,31)(H,26,27)