4-chloranyl-2-[2-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-[3-(3-chloro-4-methoxy-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[2-[[3-(3-chloro-4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-[[3-(3-chloro-4-methoxy-phenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid Formula: C24H17Cl2N3O5S MolecularWeight: 530.37988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)O)Cl

InChI

InChI=1S/C24H17Cl2N3O5S/c1-34-20-9-7-14(11-17(20)26)29-22(31)15-4-2-3-5-18(15)28-24(29)35-12-21(30)27-19-10-13(25)6-8-16(19)23(32)33/h2-11H,12H2,1H3,(H,27,30)(H,32,33)