ethyl 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CN2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N4O3S/c1-2-28-21(27)24-12-9-15(10-13-24)22-19(26)14-25-11-5-7-17(25)20-23-16-6-3-4-8-18(16)29-20/h3-4,6,8,15,17H,2,5,7,9-14H2,1H3,(H,22,26)/t17-/m1/s1