methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]-3-piperonyl-quinazoline-7-carboxylic acid methyl ester Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N3CCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N3CCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H23N3O6S/c1-31-23(30)16-5-6-17-18(11-16)25-24(34-13-21(28)26-8-2-3-9-26)27(22(17)29)12-15-4-7-19-20(10-15)33-14-32-19/h4-7,10-11H,2-3,8-9,12-14H2,1H3