N-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-7-oxidanyl-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-4-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-7-oxidanyl-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)-4a,8-dimethyl-4-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-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-(4-methyl-1-piperidinyl)-2-oxoethyl]-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-(4-methylpiperidin-1-yl)-2-oxoethyl]-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-keto-2-(4-methylpiperidino)ethyl]-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2,2-dimethyl-propionamide Formula: C27H43N3O4S MolecularWeight: 505.71302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NC(=O)C(C)(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C[C@@H]2C3=C(C[C@H]4[C@]2(CC[C@H]([C@@]4(C)CO)O)C)SC(=N3)NC(=O)C(C)(C)C

InChI

InChI=1S/C27H43N3O4S/c1-16-8-11-30(12-9-16)21(33)13-17-22-18(35-24(28-22)29-23(34)25(2,3)4)14-19-26(17,5)10-7-20(32)27(19,6)15-31/h16-17,19-20,31-32H,7-15H2,1-6H3,(H,28,29,34)/t17-,19+,20-,26+,27+/m1/s1