methyl 2-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(1-p-phenetylbenzimidazol-2-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C26H22N4O4S MolecularWeight: 486.54228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)OC

InChI

InChI=1S/C26H22N4O4S/c1-3-34-18-11-9-17(10-12-18)30-22-7-5-4-6-20(22)28-26(30)35-15-23-27-21-14-16(25(32)33-2)8-13-19(21)24(31)29-23/h4-14H,3,15H2,1-2H3,(H,27,29,31)