[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C=CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)/C=C/C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-3-13-23-22(27)16(2)28-20(26)12-11-17-15-25(18-8-5-4-6-9-18)24-21(17)19-10-7-14-29-19/h4-12,14-16H,3,13H2,1-2H3,(H,23,27)/b12-11+/t16-/m0/s1