5-[[2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C25H20ClN3O5S MolecularWeight: 509.9614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C25H20ClN3O5S/c1-34-21-11-6-15(12-19(21)24(32)33)13-27-22(30)14-35-25-28-20-5-3-2-4-18(20)23(31)29(25)17-9-7-16(26)8-10-17/h2-12H,13-14H2,1H3,(H,27,30)(H,32,33)