[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)OC(C(C)C)C(=O)NC(=O)N)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)O[C@@H](C(C)C)C(=O)NC(=O)N)C

InChI

InChI=1S/C20H28N4O4/c1-6-7-8-24-13(4)9-15(14(24)5)10-16(11-21)19(26)28-17(12(2)3)18(25)23-20(22)27/h9-10,12,17H,6-8H2,1-5H3,(H3,22,23,25,27)/b16-10+/t17-/m0/s1