ethyl 5-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(6-benzimidazolo[1,2-c]quinazolinylthio)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(benzimidazolo[1,2-c]quinazolin-6-ylthio)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42)C

InChI

InChI=1S/C25H22N4O3S/c1-4-32-24(31)21-14(2)22(26-15(21)3)20(30)13-33-25-28-17-10-6-5-9-16(17)23-27-18-11-7-8-12-19(18)29(23)25/h5-12,26H,4,13H2,1-3H3