5-(3H-1,3-benzothiazol-2-ylidene)-6-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hexanoate

Systemtic Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hexanoate Openeye Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)hexanoate CAS Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)hexanoate IUPAC Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)hexanoate Traditional Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)hexanoate Formula: C21H20NO3S- MolecularWeight: 366.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)CCCC(=O)[O-])C=C(C1=O)C

Isomeric SMILES

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)CCCC(=O)[O-])C=C(C1=O)C

InChI

InChI=1S/C21H21NO3S/c1-13-10-15(11-14(2)20(13)25)12-16(6-5-9-19(23)24)21-22-17-7-3-4-8-18(17)26-21/h3-4,7-8,10-12,22H,5-6,9H2,1-2H3,(H,23,24)/p-1