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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C25H20ClN3O5S/c1-14-7-8-15(24(32)33)11-20(14)27-22(30)13-35-25-28-19-6-4-3-5-17(19)23(31)29(25)16-9-10-21(34-2)18(26)12-16/h3-12H,13H2,1-2H3,(H,27,30)(H,32,33)