N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]furan-2-carboxamide

Systemtic Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]furan-2-carboxamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]furan-2-carboxamide CAS Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-furancarboxamide IUPAC Name: N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]furan-2-carboxamide Traditional Name: N-[7-hydroxy-4-[2-keto-2-(piperonylamino)ethyl]-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-furamide Formula: C29H33N3O7S MolecularWeight: 567.65322

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC5=C(C=C4)OCO5)N=C(S3)NC(=O)C6=CC=CO6)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC5=C(C=C4)OCO5)N=C(S3)NC(=O)C6=CC=CO6)(C)CO)O

InChI

InChI=1S/C29H33N3O7S/c1-28-8-7-23(34)29(2,14-33)22(28)12-21-25(31-27(40-21)32-26(36)19-4-3-9-37-19)17(28)11-24(35)30-13-16-5-6-18-20(10-16)39-15-38-18/h3-6,9-10,17,22-23,33-34H,7-8,11-15H2,1-2H3,(H,30,35)(H,31,32,36)