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

Systemtic Name: methyl 3-[2,5-dimethyl-3-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]pyrrol-1-yl]propanoate Openeye Name: methyl 3-[2,5-dimethyl-3-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrrol-1-yl]propanoate Traditional Name: 3-[2,5-dimethyl-3-[2-[(2-methylquinazolin-4-yl)thio]acetyl]pyrrol-1-yl]propionic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-13-11-17(14(2)24(13)10-9-20(26)27-4)19(25)12-28-21-16-7-5-6-8-18(16)22-15(3)23-21/h5-8,11H,9-10,12H2,1-4H3