N-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4-[2-(isopropylamino)-2-oxo-ethyl]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-tert-butyl-benzamide CAS Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-tert-butylbenzamide IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-tert-butylbenzamide Traditional Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-4-[2-(isopropylamino)-2-keto-ethyl]-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-tert-butyl-benzamide Formula: C30H43N3O4S MolecularWeight: 541.74512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CC1C2=C(CC3C1(CCC(C3(C)CO)O)C)SC(=N2)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)NC(=O)C[C@@H]1C2=C(C[C@H]3[C@]1(CC[C@H]([C@@]3(C)CO)O)C)SC(=N2)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C30H43N3O4S/c1-17(2)31-24(36)14-20-25-21(15-22-29(20,6)13-12-23(35)30(22,7)16-34)38-27(32-25)33-26(37)18-8-10-19(11-9-18)28(3,4)5/h8-11,17,20,22-23,34-35H,12-16H2,1-7H3,(H,31,36)(H,32,33,37)/t20-,22+,23-,29+,30+/m1/s1