[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] (E)-3-(5-phenyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-phenyl-2-thiophenyl)-2-propenoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-phenyl-2-thienyl)acrylic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C=CC2=CC=C(S2)C3=CC=CC=C3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)/C=C/C2=CC=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-21(14-22,16-7-8-16)23-19(24)13-26-20(25)12-10-17-9-11-18(27-17)15-5-3-2-4-6-15/h2-6,9-12,16H,7-8,13H2,1H3,(H,23,24)/b12-10+/t21-/m0/s1