(2-azanyl-2-oxidanylidene-ethyl) (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-2-oxo-ethyl) (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid (2-amino-2-keto-ethyl) ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C=CC(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)/C=C/C(=O)OCC(=O)N

InChI

InChI=1S/C19H17N3O3S/c20-17(23)13-25-18(24)9-8-15-12-22(11-14-5-2-1-3-6-14)21-19(15)16-7-4-10-26-16/h1-10,12H,11,13H2,(H2,20,23)/b9-8+