methyl 2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetic acid methyl ester Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C18H15ClN2O3S/c1-24-16(22)11-25-18-20-15-9-13(19)7-8-14(15)17(23)21(18)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3