5-[(2Z)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzene-1,3-dicarboxylate

Systemtic Name: 5-[(2Z)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzene-1,3-dicarboxylate Openeye Name: 5-[(2Z)-2-[1,3-benzothiazol-2-yl(cyano)methylene]hydrazino]benzene-1,3-dicarboxylate CAS Name: 5-[(2Z)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzene-1,3-dicarboxylate IUPAC Name: 5-[(2Z)-2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzene-1,3-dicarboxylate Traditional Name: 5-[(N'Z)-N'-[1,3-benzothiazol-2-yl(cyano)methylene]hydrazino]isophthalate Formula: C17H8N4O4S-2 MolecularWeight: 364.33482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=NNC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=N\NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])/C#N

InChI

InChI=1S/C17H10N4O4S/c18-8-13(15-19-12-3-1-2-4-14(12)26-15)21-20-11-6-9(16(22)23)5-10(7-11)17(24)25/h1-7,20H,(H,22,23)(H,24,25)/p-2/b21-13-