N-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4-[2-(isopropylamino)-2-oxo-ethyl]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethyl-propanamide CAS Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-4-[2-(isopropylamino)-2-keto-ethyl]-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethyl-propionamide Formula: C24H39N3O4S MolecularWeight: 465.64916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)NC(=O)C[C@@H]1C2=C(C[C@H]3[C@]1(CC[C@H]([C@@]3(C)CO)O)C)SC(=N2)NC(=O)C(C)(C)C

InChI

InChI=1S/C24H39N3O4S/c1-13(2)25-18(30)10-14-19-15(32-21(26-19)27-20(31)22(3,4)5)11-16-23(14,6)9-8-17(29)24(16,7)12-28/h13-14,16-17,28-29H,8-12H2,1-7H3,(H,25,30)(H,26,27,31)/t14-,16+,17-,23+,24+/m1/s1