methyl 3-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylethanoyl)pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylethanoyl)pyrrol-1-yl]propanoate Openeye Name: methyl 3-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylacetyl)pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[1-oxo-2-(4-quinazolinylthio)ethyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylacetyl)pyrrol-1-yl]propanoate Traditional Name: 3-[2,5-dimethyl-3-[2-(quinazolin-4-ylthio)acetyl]pyrrol-1-yl]propionic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C20H21N3O3S/c1-13-10-16(14(2)23(13)9-8-19(25)26-3)18(24)11-27-20-15-6-4-5-7-17(15)21-12-22-20/h4-7,10,12H,8-9,11H2,1-3H3