ethyl 3-[[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[5-(3-methyl-1-piperidyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-3-phenyl-propanoate CAS Name: 3-[[[[5-(3-methyl-1-piperidinyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-3-phenylpropanoate Traditional Name: 3-[[5-(3-methylpiperidino)-1,3,4-thiadiazol-2-yl]carbamoylamino]-3-phenyl-propionic acid ethyl ester Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)NC2=NN=C(S2)N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)NC2=NN=C(S2)N3CCCC(C3)C

InChI

InChI=1S/C20H27N5O3S/c1-3-28-17(26)12-16(15-9-5-4-6-10-15)21-18(27)22-19-23-24-20(29-19)25-11-7-8-14(2)13-25/h4-6,9-10,14,16H,3,7-8,11-13H2,1-2H3,(H2,21,22,23,27)