ethyl (E)-3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[5-(2-thienyl)-1H-pyrazole-3-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[oxo-(5-thiophen-2-yl-1H-pyrazol-3-yl)methyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]but-2-enoate Traditional Name: (E)-3-[[5-(2-thienyl)-1H-pyrazole-3-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=NNC(=C1)C2=CC=CS2

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=NNC(=C1)C2=CC=CS2

InChI

InChI=1S/C14H15N3O3S/c1-3-20-13(18)7-9(2)15-14(19)11-8-10(16-17-11)12-5-4-6-21-12/h4-8H,3H2,1-2H3,(H,15,19)(H,16,17)/b9-7+