[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate

Systemtic Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Openeye Name: [2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-furancarboxylic acid [2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)furan-2-carboxylic acid [2-[(2S)-2-ethylpiperidino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O4S/c1-2-14-7-5-6-12-23(14)19(24)13-26-21(25)17-11-10-16(27-17)20-22-15-8-3-4-9-18(15)28-20/h3-4,8-11,14H,2,5-7,12-13H2,1H3/t14-/m0/s1