methyl 2-[[(1R)-2,2-bis(chloranyl)cyclopropyl]methylsulfanyl]-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(1R)-2,2-bis(chloranyl)cyclopropyl]methylsulfanyl]-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[[(1R)-2,2-dichlorocyclopropyl]methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[(1R)-2,2-dichlorocyclopropyl]methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[[(1R)-2,2-dichlorocyclopropyl]methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-2-[[(1R)-2,2-dichlorocyclopropyl]methylthio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C18H20Cl2N2O3S MolecularWeight: 415.334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3CC3(Cl)Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC[C@H]3CC3(Cl)Cl

InChI

InChI=1S/C18H20Cl2N2O3S/c1-3-4-7-22-15(23)13-6-5-11(16(24)25-2)8-14(13)21-17(22)26-10-12-9-18(12,19)20/h5-6,8,12H,3-4,7,9-10H2,1-2H3/t12-/m1/s1