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

Systemtic Name: 2-[8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-2-phenylazanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-[(2-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[2-anilino-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide CAS Name: 2-[2-anilino-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[2-anilino-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide Traditional Name: 2-(2-anilino-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl)-N-o-anisyl-acetamide Formula: C30H37N3O4S MolecularWeight: 535.69748

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=CC=C4OC)N=C(S3)NC5=CC=CC=C5)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=CC=C4OC)N=C(S3)NC5=CC=CC=C5)(C)CO)O

InChI

InChI=1S/C30H37N3O4S/c1-29-14-13-25(35)30(2,18-34)24(29)16-23-27(33-28(38-23)32-20-10-5-4-6-11-20)21(29)15-26(36)31-17-19-9-7-8-12-22(19)37-3/h4-12,21,24-25,34-35H,13-18H2,1-3H3,(H,31,36)(H,32,33)