tert-butyl 2-azanyl-4-[[7-chloranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]benzoate

Systemtic Name: tert-butyl 2-azanyl-4-[[7-chloranyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]sulfonyl]benzoate Openeye Name: tert-butyl 2-amino-4-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoate CAS Name: 2-amino-4-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-[(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)sulfonyl]benzoate Traditional Name: 2-amino-4-[(7-chloro-2,4-diketo-1H-quinazolin-3-yl)sulfonyl]benzoic acid tert-butyl ester Formula: C19H18ClN3O6S MolecularWeight: 451.88072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O6S/c1-19(2,3)29-17(25)12-7-5-11(9-14(12)21)30(27,28)23-16(24)13-6-4-10(20)8-15(13)22-18(23)26/h4-9H,21H2,1-3H3,(H,22,26)