methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-ethyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-ethyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-ethyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-ethyl-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-ethyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-ethyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H18N4O3S/c1-3-24-18(25)13-9-8-12(19(26)27-2)10-16(13)23-20(24)28-11-17-21-14-6-4-5-7-15(14)22-17/h4-10H,3,11H2,1-2H3,(H,21,22)