2-[1-(3H-1,3-benzothiazol-2-ylidene)-2-(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]sulfanylethanoate

Systemtic Name: 2-[1-(3H-1,3-benzothiazol-2-ylidene)-2-(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]sulfanylethanoate Openeye Name: 2-[1-(3H-1,3-benzothiazol-2-ylidene)-2-(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethyl]sulfanylacetate CAS Name: 2-[[1-(3H-1,3-benzothiazol-2-ylidene)-2-(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]thio]acetate IUPAC Name: 2-[1-(3H-1,3-benzothiazol-2-ylidene)-2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]sulfanylacetate Traditional Name: 2-[[1-(3H-1,3-benzothiazol-2-ylidene)-2-(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)ethyl]thio]acetate Formula: C19H16NO5S2- MolecularWeight: 402.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C2NC3=CC=CC=C3S2)SCC(=O)[O-])C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=CC(=C2NC3=CC=CC=C3S2)SCC(=O)[O-])C=C(C1=O)OC

InChI

InChI=1S/C19H17NO5S2/c1-24-13-7-11(8-14(25-2)18(13)23)9-16(26-10-17(21)22)19-20-12-5-3-4-6-15(12)27-19/h3-9,20H,10H2,1-2H3,(H,21,22)/p-1