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

Systemtic Name: methyl 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-(1,3-benzothiazol-2-ylmethylthio)-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-(1,3-benzothiazol-2-ylmethylthio)-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O3S2/c1-26-18(24)10-11-23-19(25)13-6-2-3-7-14(13)22-20(23)27-12-17-21-15-8-4-5-9-16(15)28-17/h2-9H,10-12H2,1H3