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-(thiophen-2-ylmethyl)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-(thiophen-2-ylmethyl)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-(2-thienylmethyl)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-(thiophen-2-ylmethyl)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-(thiophen-2-ylmethyl)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-(2-thenyl)acetamide Formula: C29H35N3O5S2 MolecularWeight: 569.7353

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=CS4)N=C(S3)NC(=O)COC5=CC=CC=C5)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=CS4)N=C(S3)NC(=O)COC5=CC=CC=C5)(C)CO)O

InChI

InChI=1S/C29H35N3O5S2/c1-28-11-10-23(34)29(2,17-33)22(28)14-21-26(20(28)13-24(35)30-15-19-9-6-12-38-19)32-27(39-21)31-25(36)16-37-18-7-4-3-5-8-18/h3-9,12,20,22-23,33-34H,10-11,13-17H2,1-2H3,(H,30,35)(H,31,32,36)