methyl 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-(1,3-benzothiazol-2-ylmethylthio)-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazol-2-ylmethylthio)-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15N3O3S2/c1-25-17(23)10-22-18(24)12-6-2-3-7-13(12)21-19(22)26-11-16-20-14-8-4-5-9-15(14)27-16/h2-9H,10-11H2,1H3