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

Systemtic Name: 2-[8-(hydroxymethyl)-2-(2-methoxyethanoylamino)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[7-hydroxy-8-(hydroxymethyl)-2-[(2-methoxyacetyl)amino]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-methyl-acetamide CAS Name: 2-[7-hydroxy-8-(hydroxymethyl)-2-[(2-methoxy-1-oxoethyl)amino]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[7-hydroxy-8-(hydroxymethyl)-2-[(2-methoxyacetyl)amino]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-methylacetamide Traditional Name: N-benzyl-2-[7-hydroxy-2-[(2-methoxyacetyl)amino]-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-methyl-acetamide Formula: C27H37N3O5S MolecularWeight: 515.66478

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)N(C)CC4=CC=CC=C4)N=C(S3)NC(=O)COC)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)N(C)CC4=CC=CC=C4)N=C(S3)NC(=O)COC)(C)CO)O

InChI

InChI=1S/C27H37N3O5S/c1-26-11-10-21(32)27(2,16-31)20(26)13-19-24(29-25(36-19)28-22(33)15-35-4)18(26)12-23(34)30(3)14-17-8-6-5-7-9-17/h5-9,18,20-21,31-32H,10-16H2,1-4H3,(H,28,29,33)