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

Systemtic Name: ethyl (3S)-1-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H25N3O4S/c1-2-28-20(27)14-6-5-11-23(12-14)18(25)13-29-21-22-17-8-4-3-7-16(17)19(26)24(21)15-9-10-15/h3-4,7-8,14-15H,2,5-6,9-13H2,1H3/t14-/m0/s1