ethyl 1-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-chloro-1,3-benzoxazol-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C17H19ClN2O4S/c1-2-23-16(22)11-5-7-20(8-6-11)15(21)10-25-17-19-13-9-12(18)3-4-14(13)24-17/h3-4,9,11H,2,5-8,10H2,1H3