3-[[3-[[7-chloranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]phenyl]amino]-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[3-[[7-chloranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]phenyl]amino]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]anilino]-2-methyl-3-oxo-propanoic acid CAS Name: 3-[3-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]anilino]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[3-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]anilino]-2-methyl-3-oxopropanoic acid Traditional Name: 3-[3-[(7-chloro-2,4-diketo-1H-quinazolin-3-yl)sulfonyl]anilino]-3-keto-2-methyl-propionic acid Formula: C18H14ClN3O7S MolecularWeight: 451.83766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O)C(=O)O

InChI

InChI=1S/C18H14ClN3O7S/c1-9(17(25)26)15(23)20-11-3-2-4-12(8-11)30(28,29)22-16(24)13-6-5-10(19)7-14(13)21-18(22)27/h2-9H,1H3,(H,20,23)(H,21,27)(H,25,26)