5-[[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C22H20ClN3O5S MolecularWeight: 473.9293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)C(=O)O

InChI

InChI=1S/C22H20ClN3O5S/c1-3-8-26-20(28)15-10-14(23)5-6-17(15)25-22(26)32-12-19(27)24-11-13-4-7-18(31-2)16(9-13)21(29)30/h3-7,9-10H,1,8,11-12H2,2H3,(H,24,27)(H,29,30)