4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-2-[(4-methoxyphenyl)sulfonyl-prop-2-ynyl-amino]butanoic acid

Systemtic Name: 4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-2-[(4-methoxyphenyl)sulfonyl-prop-2-ynyl-amino]butanoic acid Openeye Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-ynyl-amino]butanoic acid CAS Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-ynylamino]butanoic acid IUPAC Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-ynylamino]butanoic acid Traditional Name: 4-(2,4-diketo-1H-quinazolin-3-yl)-2-[(4-methoxyphenyl)sulfonyl-propargyl-amino]butyric acid Formula: C22H21N3O7S MolecularWeight: 471.48304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC#C)C(CCN2C(=O)C3=CC=CC=C3NC2=O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC#C)C(CCN2C(=O)C3=CC=CC=C3NC2=O)C(=O)O

InChI

InChI=1S/C22H21N3O7S/c1-3-13-25(33(30,31)16-10-8-15(32-2)9-11-16)19(21(27)28)12-14-24-20(26)17-6-4-5-7-18(17)23-22(24)29/h1,4-11,19H,12-14H2,2H3,(H,23,29)(H,27,28)