methyl 2,4-dimethyl-5-(2-quinazolin-4-ylsulfanylethanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-(2-quinazolin-4-ylsulfanylethanoyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-(2-quinazolin-4-ylsulfanylacetyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(4-quinazolinylthio)ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(2-quinazolin-4-ylsulfanylacetyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(quinazolin-4-ylthio)acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C18H17N3O3S/c1-10-15(18(23)24-3)11(2)21-16(10)14(22)8-25-17-12-6-4-5-7-13(12)19-9-20-17/h4-7,9,21H,8H2,1-3H3