N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-fluoro-benzamide CAS Name: N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-fluorobenzamide IUPAC Name: N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[4-[2-(homoveratrylamino)-2-keto-ethyl]-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]benzamide Formula: C33H40FN3O6S MolecularWeight: 625.750603

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)NCCC4=CC(=C(C=C4)OC)OC)N=C(S3)NC(=O)C5=CC=C(C=C5)F)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)NCCC4=CC(=C(C=C4)OC)OC)N=C(S3)NC(=O)C5=CC=C(C=C5)F)(C)CO)O

InChI

InChI=1S/C33H40FN3O6S/c1-32-13-11-27(39)33(2,18-38)26(32)17-25-29(36-31(44-25)37-30(41)20-6-8-21(34)9-7-20)22(32)16-28(40)35-14-12-19-5-10-23(42-3)24(15-19)43-4/h5-10,15,22,26-27,38-39H,11-14,16-18H2,1-4H3,(H,35,40)(H,36,37,41)