methyl 3-butyl-4-oxidanylidene-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-4-oxo-2-[(1S)-2-oxocyclohexyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[[(1S)-2-oxocyclohexyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-[(1S)-2-oxocyclohexyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[[(1S)-2-ketocyclohexyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC3CCCCC3=O

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1S[C@H]3CCCCC3=O

InChI

InChI=1S/C20H24N2O4S/c1-3-4-11-22-18(24)14-10-9-13(19(25)26-2)12-15(14)21-20(22)27-17-8-6-5-7-16(17)23/h9-10,12,17H,3-8,11H2,1-2H3/t17-/m0/s1