ethyl (3S)-1-[(4-oxidanylidene-3-propyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-oxidanylidene-3-propyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-oxo-3-propyl-2-thioxo-1H-quinazoline-7-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-(4-oxo-3-propyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-keto-3-propyl-2-thioxo-1H-quinazoline-7-carbonyl)nipecotic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCC(C3)C(=O)OCC)NC1=S

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC[C@@H](C3)C(=O)OCC)NC1=S

InChI

InChI=1S/C20H25N3O4S/c1-3-9-23-18(25)15-8-7-13(11-16(15)21-20(23)28)17(24)22-10-5-6-14(12-22)19(26)27-4-2/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,21,28)/t14-/m0/s1