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

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)butanoate Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)butanoate CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)butanoate IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)butanoate Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)butyrate Formula: C19H16NO5S- MolecularWeight: 370.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO5S/c1-24-14-8-11(9-15(25-2)18(14)23)7-12(10-17(21)22)19-20-13-5-3-4-6-16(13)26-19/h3-9,20H,10H2,1-2H3,(H,21,22)/p-1