methyl 3-[2-[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]propanoate

Systemtic Name: methyl 3-[2-[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]propanoate Openeye Name: methyl 3-[2-[1-(5-carbamimidoyl-2-pyridyl)-4-piperidyl]thiazol-4-yl]propanoate CAS Name: 3-[2-[1-(5-carbamimidoyl-2-pyridinyl)-4-piperidinyl]-4-thiazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]propanoate Traditional Name: 3-[2-[1-(5-amidino-2-pyridyl)-4-piperidyl]thiazol-4-yl]propionic acid methyl ester Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CSC(=N1)C2CCN(CC2)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CSC(=N1)C2CCN(CC2)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H23N5O2S/c1-25-16(24)5-3-14-11-26-18(22-14)12-6-8-23(9-7-12)15-4-2-13(10-21-15)17(19)20/h2,4,10-12H,3,5-9H2,1H3,(H3,19,20)