5-(3H-1,3-benzothiazol-2-ylidene)-6-(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hexanoic acid

Systemtic Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hexanoic acid Openeye Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hexanoic acid CAS Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)hexanoic acid IUPAC Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)hexanoic acid Traditional Name: 5-(3H-1,3-benzothiazol-2-ylidene)-6-(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)hexanoic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2NC3=CC=CC=C3S2)CCCC(=O)O)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=CC(=C2NC3=CC=CC=C3S2)CCCC(=O)O)C=C(C1=O)OC

InChI

InChI=1S/C21H21NO5S/c1-26-16-11-13(12-17(27-2)20(16)25)10-14(6-5-9-19(23)24)21-22-15-7-3-4-8-18(15)28-21/h3-4,7-8,10-12,22H,5-6,9H2,1-2H3,(H,23,24)