(4aS,8aR)-4a-(1,3-benzothiazol-2-yl)-1,1-dimethoxy-6,7-dimethyl-8,8a-dihydro-5H-naphthalen-2-one

Systemtic Name: (4aS,8aR)-4a-(1,3-benzothiazol-2-yl)-1,1-dimethoxy-6,7-dimethyl-8,8a-dihydro-5H-naphthalen-2-one Openeye Name: (4aS,8aR)-4a-(1,3-benzothiazol-2-yl)-1,1-dimethoxy-6,7-dimethyl-8,8a-dihydro-5H-naphthalen-2-one CAS Name: (4aS,8aR)-4a-(1,3-benzothiazol-2-yl)-1,1-dimethoxy-6,7-dimethyl-8,8a-dihydro-5H-naphthalen-2-one IUPAC Name: (4aS,8aR)-4a-(1,3-benzothiazol-2-yl)-1,1-dimethoxy-6,7-dimethyl-8,8a-dihydro-5H-naphthalen-2-one Traditional Name: (4aS,8aR)-4a-(1,3-benzothiazol-2-yl)-1,1-dimethoxy-6,7-dimethyl-8,8a-dihydro-5H-naphthalen-2-one Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2(C=CC(=O)C(C2C1)(OC)OC)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C[C@@]2(C=CC(=O)C([C@@H]2C1)(OC)OC)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H23NO3S/c1-13-11-17-20(12-14(13)2,10-9-18(23)21(17,24-3)25-4)19-22-15-7-5-6-8-16(15)26-19/h5-10,17H,11-12H2,1-4H3/t17-,20-/m1/s1