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]-4-fluoranyl-benzamide

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]-4-fluoranyl-benzamide 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]-4-fluoro-benzamide 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]-4-fluorobenzamide 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]-4-fluorobenzamide 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]-4-fluoro-benzamide Formula: C29H38FN3O4S MolecularWeight: 543.693123

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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)C5=CC=C(C=C5)F

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)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H38FN3O4S/c1-17-9-12-33(13-10-17)24(36)14-20-25-21(15-22-28(20,2)11-8-23(35)29(22,3)16-34)38-27(31-25)32-26(37)18-4-6-19(30)7-5-18/h4-7,17,20,22-23,34-35H,8-16H2,1-3H3,(H,31,32,37)/t20-,22+,23-,28+,29+/m1/s1