methyl 2,4-bis(oxidanylidene)-3-[2-(phenylmethylsulfanyl)ethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2,4-bis(oxidanylidene)-3-[2-(phenylmethylsulfanyl)ethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-benzylsulfanylethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 2,4-dioxo-3-[2-(phenylmethylthio)ethyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-benzylsulfanylethyl)-2,4-dioxo-1H-quinazoline-7-carboxylate Traditional Name: 3-[2-(benzylthio)ethyl]-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCSCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCSCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4S/c1-25-18(23)14-7-8-15-16(11-14)20-19(24)21(17(15)22)9-10-26-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,24)