(4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H13N5O3S MolecularWeight: 415.42462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H13N5O3S/c27-19-12-5-1-2-6-13(12)24-16(26-19)11-29-21(28)18-17(22-9-10-23-18)20-25-14-7-3-4-8-15(14)30-20/h1-10H,11H2,(H,24,26,27)