4-[4-(2-thiophen-2-ylethanoylamino)pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-(2-thiophen-2-ylethanoylamino)pyrazol-1-yl]butanoate Openeye Name: 4-[4-[[2-(2-thienyl)acetyl]amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[(2-thiophen-2-ylacetyl)amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[[2-(2-thienyl)acetyl]amino]pyrazol-1-yl]butyrate Formula: C13H14N3O3S- MolecularWeight: 292.33356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(=O)NC2=CN(N=C2)CCCC(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CC(=O)NC2=CN(N=C2)CCCC(=O)[O-]

InChI

InChI=1S/C13H15N3O3S/c17-12(7-11-3-2-6-20-11)15-10-8-14-16(9-10)5-1-4-13(18)19/h2-3,6,8-9H,1,4-5,7H2,(H,15,17)(H,18,19)/p-1