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

Systemtic Name: 2-[8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-2-(2-phenoxyethanoylamino)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(1-phenylethyl)ethanamide Openeye Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(1-phenylethyl)acetamide CAS Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-[(1-oxo-2-phenoxyethyl)amino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(1-phenylethyl)acetamide Traditional Name: 2-[7-hydroxy-4a,8-dimethyl-8-methylol-2-[(2-phenoxyacetyl)amino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(1-phenylethyl)acetamide Formula: C32H39N3O5S MolecularWeight: 577.73416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NC(=O)COC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C32H39N3O5S/c1-20(21-10-6-4-7-11-21)33-27(38)16-23-29-24(17-25-31(23,2)15-14-26(37)32(25,3)19-36)41-30(35-29)34-28(39)18-40-22-12-8-5-9-13-22/h4-13,20,23,25-26,36-37H,14-19H2,1-3H3,(H,33,38)(H,34,35,39)