methyl 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C24H17N3O3S2 MolecularWeight: 459.54008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C24H17N3O3S2/c1-30-23(29)15-11-12-17-19(13-15)26-24(27(22(17)28)16-7-3-2-4-8-16)31-14-21-25-18-9-5-6-10-20(18)32-21/h2-13H,14H2,1H3