3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)butanoate

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)butanoate Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-oxocyclohexa-2,5-dien-1-ylidene)butanoate CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-oxo-1-cyclohexa-2,5-dienylidene)butanoate IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-oxocyclohexa-2,5-dien-1-ylidene)butanoate Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-4-(4-ketocyclohexa-2,5-dien-1-ylidene)butyrate Formula: C17H12NO3S- MolecularWeight: 310.34708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(CC(=O)[O-])C=C3C=CC(=O)C=C3)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(CC(=O)[O-])C=C3C=CC(=O)C=C3)S2

InChI

InChI=1S/C17H13NO3S/c19-13-7-5-11(6-8-13)9-12(10-16(20)21)17-18-14-3-1-2-4-15(14)22-17/h1-9,18H,10H2,(H,20,21)/p-1