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

Systemtic Name: (1Z)-1-[3-(cyclohepten-1-yl)-6-methoxy-1,3-benzothiazol-2-ylidene]-3-methyl-butan-2-one Openeye Name: (1Z)-1-[3-(cyclohepten-1-yl)-6-methoxy-1,3-benzothiazol-2-ylidene]-3-methyl-butan-2-one CAS Name: (1Z)-1-[3-(1-cycloheptenyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-3-methyl-2-butanone IUPAC Name: (1Z)-1-[3-(cyclohepten-1-yl)-6-methoxy-1,3-benzothiazol-2-ylidene]-3-methylbutan-2-one Traditional Name: (1Z)-1-[3-(cyclohepten-1-yl)-6-methoxy-1,3-benzothiazol-2-ylidene]-3-methyl-butan-2-one Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C=C1N(C2=C(S1)C=C(C=C2)OC)C3=CCCCCC3

Isomeric SMILES

CC(C)C(=O)/C=C\1/N(C2=C(S1)C=C(C=C2)OC)C3=CCCCCC3

InChI

InChI=1S/C20H25NO2S/c1-14(2)18(22)13-20-21(15-8-6-4-5-7-9-15)17-11-10-16(23-3)12-19(17)24-20/h8,10-14H,4-7,9H2,1-3H3/b20-13-