2-[[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-1-ethyl-benzimidazole-5-carboxylic acid CAS Name: 2-[[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-1-ethyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1-ethylbenzimidazole-5-carboxylic acid Traditional Name: 2-[[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]methyl]-1-ethyl-benzimidazole-5-carboxylic acid Formula: C27H24N4O5S MolecularWeight: 516.56826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C27H24N4O5S/c1-4-30-21-11-9-16(26(33)34)13-20(21)28-24(30)15-37-27-29-19-8-6-5-7-18(19)25(32)31(27)17-10-12-22(35-2)23(14-17)36-3/h5-14H,4,15H2,1-3H3,(H,33,34)