methyl 2-[3-(4-butan-2-ylphenyl)-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-(4-butan-2-ylphenyl)-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[6-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(4-butan-2-ylphenyl)-6-chloro-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-butan-2-ylphenyl)-6-chloro-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[6-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]acetic acid methyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3S/c1-4-13(2)14-5-8-16(9-6-14)24-20(26)17-11-15(22)7-10-18(17)23-21(24)28-12-19(25)27-3/h5-11,13H,4,12H2,1-3H3