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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-2-oxo-1-phenyl-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-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) (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-1-phenyl-ethyl) ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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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)OC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)/C=C/C(=O)OC(C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H21N3O3S/c26-25(30)24(19-10-5-2-6-11-19)31-22(29)14-13-20-17-28(16-18-8-3-1-4-9-18)27-23(20)21-12-7-15-32-21/h1-15,17,24H,16H2,(H2,26,30)/b14-13+