ethyl 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-1-oxo-2-phenylpropyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C(C)(CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C(C)(CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S/c1-3-31-24(30)28-15-13-19(14-16-28)26-23(29)25(2,18-9-5-4-6-10-18)17-22-27-20-11-7-8-12-21(20)32-22/h4-12,19H,3,13-17H2,1-2H3,(H,26,29)