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

Systemtic Name: methyl 3-(furan-2-ylmethyl)-4-oxidanylidene-2-propan-2-ylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-furylmethyl)-2-isopropylsulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-4-oxo-2-(propan-2-ylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-4-oxo-2-propan-2-ylsulfanylquinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-2-(isopropylthio)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

Isomeric SMILES

CC(C)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C18H18N2O4S/c1-11(2)25-18-19-15-9-12(17(22)23-3)6-7-14(15)16(21)20(18)10-13-5-4-8-24-13/h4-9,11H,10H2,1-3H3