2-(1,3-benzothiazol-2-yl)-5,5-dimethyl-3-(phenylmethyl)imino-cyclohexen-1-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5,5-dimethyl-3-(phenylmethyl)imino-cyclohexen-1-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-benzylimino-5,5-dimethyl-cyclohexen-1-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-5,5-dimethyl-3-(phenylmethyl)imino-1-cyclohexenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-benzylimino-5,5-dimethylcyclohexen-1-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-benzylimino-5,5-dimethyl-cyclohexen-1-olate Formula: C22H21N2OS- MolecularWeight: 361.47994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=NCC2=CC=CC=C2)C1)C3=NC4=CC=CC=C4S3)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=NCC2=CC=CC=C2)C1)C3=NC4=CC=CC=C4S3)[O-])C

InChI

InChI=1S/C22H22N2OS/c1-22(2)12-17(23-14-15-8-4-3-5-9-15)20(18(25)13-22)21-24-16-10-6-7-11-19(16)26-21/h3-11,25H,12-14H2,1-2H3/p-1