ethyl 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidino]acetyl]amino]benzoic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-2-29-23(28)17-6-5-7-18(14-17)24-21(27)15-26-12-10-16(11-13-26)22-25-19-8-3-4-9-20(19)30-22/h3-9,14,16H,2,10-13,15H2,1H3,(H,24,27)