ethyl (3S)-1-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(2-methylquinazolin-4-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C19H23N3O3S/c1-3-25-19(24)14-7-6-10-22(11-14)17(23)12-26-18-15-8-4-5-9-16(15)20-13(2)21-18/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3/t14-/m0/s1