methyl 3-butyl-2-[(2R)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-[(2R)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[(1R)-2-methoxy-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[(2R)-1-methoxy-1-oxopropan-2-yl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[(2R)-1-methoxy-1-oxopropan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[[(1R)-2-keto-2-methoxy-1-methyl-ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1S[C@H](C)C(=O)OC

InChI

InChI=1S/C18H22N2O5S/c1-5-6-9-20-15(21)13-8-7-12(17(23)25-4)10-14(13)19-18(20)26-11(2)16(22)24-3/h7-8,10-11H,5-6,9H2,1-4H3/t11-/m1/s1