methyl 3-(furan-2-ylmethyl)-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 3-(furan-2-ylmethyl)-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 2-acetonylsulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-4-oxo-2-(2-oxopropylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-4-oxo-2-(2-oxopropylsulfanyl)quinazoline-7-carboxylate Traditional Name: 2-(acetonylthio)-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

Isomeric SMILES

CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C18H16N2O5S/c1-11(21)10-26-18-19-15-8-12(17(23)24-2)5-6-14(15)16(22)20(18)9-13-4-3-7-25-13/h3-8H,9-10H2,1-2H3