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

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-ethoxy-2-oxoethyl)thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethoxy-2-oxoethyl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)thio]-4-keto-3-piperonyl-quinazoline-7-carboxylic acid methyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N2O7S/c1-3-29-19(25)11-32-22-23-16-9-14(21(27)28-2)5-6-15(16)20(26)24(22)10-13-4-7-17-18(8-13)31-12-30-17/h4-9H,3,10-12H2,1-2H3