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

Systemtic Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)pentanoate Openeye Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)pentanoate CAS Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-oxo-1-cyclohexa-2,5-dienylidene)pentanoate IUPAC Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)pentanoate Traditional Name: 4-(3H-1,3-benzothiazol-2-ylidene)-5-(4-ketocyclohexa-2,5-dien-1-ylidene)valerate Formula: C18H14NO3S- MolecularWeight: 324.37366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO3S/c20-14-8-5-12(6-9-14)11-13(7-10-17(21)22)18-19-15-3-1-2-4-16(15)23-18/h1-6,8-9,11,19H,7,10H2,(H,21,22)/p-1