2-(6-methoxy-1,3-benzothiazol-2-yl)-3-oxidanylidene-inden-1-olate

Systemtic Name: 2-(6-methoxy-1,3-benzothiazol-2-yl)-3-oxidanylidene-inden-1-olate Openeye Name: 2-(6-methoxy-1,3-benzothiazol-2-yl)-3-oxo-inden-1-olate CAS Name: 2-(6-methoxy-1,3-benzothiazol-2-yl)-3-oxo-1-indenolate IUPAC Name: 2-(6-methoxy-1,3-benzothiazol-2-yl)-3-oxoinden-1-olate Traditional Name: 3-keto-2-(6-methoxy-1,3-benzothiazol-2-yl)inden-1-olate Formula: C17H10NO3S- MolecularWeight: 308.3312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C3=C(C4=CC=CC=C4C3=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)C3=C(C4=CC=CC=C4C3=O)[O-]

InChI

InChI=1S/C17H11NO3S/c1-21-9-6-7-12-13(8-9)22-17(18-12)14-15(19)10-4-2-3-5-11(10)16(14)20/h2-8,19H,1H3/p-1