2-[7-chloranyl-2,4-bis(oxidanylidene)-3-(3-prop-2-enoxycarbonylphenyl)sulfonyl-quinazolin-1-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-2,4-bis(oxidanylidene)-3-(3-prop-2-enoxycarbonylphenyl)sulfonyl-quinazolin-1-yl]ethanoic acid Openeye Name: 2-[3-(3-allyloxycarbonylphenyl)sulfonyl-7-chloro-2,4-dioxo-quinazolin-1-yl]acetic acid CAS Name: 2-[7-chloro-2,4-dioxo-3-[3-[oxo(prop-2-enoxy)methyl]phenyl]sulfonyl-1-quinazolinyl]acetic acid IUPAC Name: 2-[7-chloro-2,4-dioxo-3-(3-prop-2-enoxycarbonylphenyl)sulfonylquinazolin-1-yl]acetic acid Traditional Name: 2-[3-(3-allyloxycarbonylphenyl)sulfonyl-7-chloro-2,4-diketo-quinazolin-1-yl]acetic acid Formula: C20H15ClN2O8S MolecularWeight: 478.8597

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)N(C2=O)CC(=O)O

Isomeric SMILES

C=CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)N(C2=O)CC(=O)O

InChI

InChI=1S/C20H15ClN2O8S/c1-2-8-31-19(27)12-4-3-5-14(9-12)32(29,30)23-18(26)15-7-6-13(21)10-16(15)22(20(23)28)11-17(24)25/h2-7,9-10H,1,8,11H2,(H,24,25)