(1Z)-1-[3-(cyclohepten-1-yl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-methyl-butan-2-one

Systemtic Name: (1Z)-1-[3-(cyclohepten-1-yl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-methyl-butan-2-one Openeye Name: (1Z)-1-[3-(cyclohepten-1-yl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-methyl-butan-2-one CAS Name: (1Z)-1-[3-(1-cycloheptenyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-methyl-2-butanone IUPAC Name: (1Z)-1-[3-(cyclohepten-1-yl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-methylbutan-2-one Traditional Name: (1Z)-1-[3-(cyclohepten-1-yl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-methyl-butan-2-one Formula: C20H25NOS MolecularWeight: 327.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=CC(=O)C(C)C)S2)C3=CCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N(/C(=C/C(=O)C(C)C)/S2)C3=CCCCCC3

InChI

InChI=1S/C20H25NOS/c1-14(2)18(22)13-20-21(16-8-6-4-5-7-9-16)17-11-10-15(3)12-19(17)23-20/h8,10-14H,4-7,9H2,1-3H3/b20-13-