ethyl 1-[2-(3-methylquinoxalin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-methylquinoxalin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-methylquinoxalin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-methyl-2-quinoxalinyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-methylquinoxalin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-methylquinoxalin-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3N=C2C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3N=C2C

InChI

InChI=1S/C20H25N3O3S/c1-4-26-20(25)15-9-11-23(12-10-15)19(24)14(3)27-18-13(2)21-16-7-5-6-8-17(16)22-18/h5-8,14-15H,4,9-12H2,1-3H3