methyl 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetate CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methylthio]acetic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

COC(=O)CSCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C12H12N2O3S/c1-17-11(15)7-18-6-10-13-9-5-3-2-4-8(9)12(16)14-10/h2-5H,6-7H2,1H3,(H,13,14,16)