methyl 4-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonyloxymethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonyloxymethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)oxymethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methoxy]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)oxymethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(3-pyrrolidinosulfonylbenzoyl)oxymethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H21N3O7S/c1-31-21(27)15-7-8-17-18(12-15)23-19(24-20(17)26)13-32-22(28)14-5-4-6-16(11-14)33(29,30)25-9-2-3-10-25/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,23,24,26)