methyl 2-[2-[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[7-chloro-3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCC(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NCC(=O)OC)C

InChI

InChI=1S/C21H20ClN3O4S/c1-12-5-4-6-17(13(12)2)25-20(28)15-8-7-14(22)9-16(15)24-21(25)30-11-18(26)23-10-19(27)29-3/h4-9H,10-11H2,1-3H3,(H,23,26)