methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(methylthio)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-methylsulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 4-keto-2-(methylthio)-3-piperonyl-quinazoline-7-carboxylic acid methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16N2O5S/c1-24-18(23)12-4-5-13-14(8-12)20-19(27-2)21(17(13)22)9-11-3-6-15-16(7-11)26-10-25-15/h3-8H,9-10H2,1-2H3