methyl 1-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C20H23N3O4S/c1-27-19(26)13-8-10-22(11-9-13)17(24)12-28-20-21-16-5-3-2-4-15(16)18(25)23(20)14-6-7-14/h2-5,13-14H,6-12H2,1H3