methyl 2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-hydroxyethylsulfanyl)-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-(2-hydroxyethylthio)-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-hydroxyethylsulfanyl)-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-(2-hydroxyethylthio)-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCO)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCO)CCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S/c1-26-19(25)15-7-8-16-17(13-15)21-20(27-12-11-23)22(18(16)24)10-9-14-5-3-2-4-6-14/h2-8,13,23H,9-12H2,1H3