methyl 2-[4-oxidanylidene-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-oxo-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(3-pyrrolidinosulfonylphenyl)quinazolin-2-yl]thio]acetic acid methyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O5S2/c1-29-19(25)14-30-21-22-18-10-3-2-9-17(18)20(26)24(21)15-7-6-8-16(13-15)31(27,28)23-11-4-5-12-23/h2-3,6-10,13H,4-5,11-12,14H2,1H3