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

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)butanoate Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)butanoate CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)butanoate IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)butanoate Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)butyrate Formula: C19H16NO3S- MolecularWeight: 338.40024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO3S/c1-11-7-13(8-12(2)18(11)23)9-14(10-17(21)22)19-20-15-5-3-4-6-16(15)24-19/h3-9,20H,10H2,1-2H3,(H,21,22)/p-1