methyl 3-[(1-methylpyrazol-4-yl)methylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(1-methylpyrazol-4-yl)methylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(1-methylpyrazol-4-yl)methylamino]-3-(2-thienyl)propanoate CAS Name: 3-[(1-methyl-4-pyrazolyl)methylamino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(1-methylpyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(1-methylpyrazol-4-yl)methylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(CC(=O)OC)C2=CC=CS2

Isomeric SMILES

CN1C=C(C=N1)CNC(CC(=O)OC)C2=CC=CS2

InChI

InChI=1S/C13H17N3O2S/c1-16-9-10(8-15-16)7-14-11(6-13(17)18-2)12-4-3-5-19-12/h3-5,8-9,11,14H,6-7H2,1-2H3