2-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-keto-1H-quinazoline-7-carboxylate Formula: C17H10N3O3S- MolecularWeight: 336.3446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C17H11N3O3S/c21-16-10-6-5-9(17(22)23)7-12(10)18-14(20-16)8-15-19-11-3-1-2-4-13(11)24-15/h1-7H,8H2,(H,22,23)(H,18,20,21)/p-1