[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC2=NOC=C2)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC2=NOC=C2)C

InChI

InChI=1S/C18H20N4O4/c1-4-6-22-12(2)8-14(13(22)3)9-15(10-19)18(24)25-11-17(23)20-16-5-7-26-21-16/h5,7-9H,4,6,11H2,1-3H3,(H,20,21,23)/b15-9+