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

Systemtic Name: methyl 3-(furan-2-ylmethyl)-2-(3-methylbut-2-enylsulfanyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-furylmethyl)-2-(3-methylbut-2-enylsulfanyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-2-(3-methylbut-2-enylthio)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-2-(3-methylbut-2-enylsulfanyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-2-(3-methylbut-2-enylthio)quinazoline-7-carboxylic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3)C

Isomeric SMILES

CC(=CCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3)C

InChI

InChI=1S/C20H20N2O4S/c1-13(2)8-10-27-20-21-17-11-14(19(24)25-3)6-7-16(17)18(23)22(20)12-15-5-4-9-26-15/h4-9,11H,10,12H2,1-3H3