[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Traditional Name: 2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OCC(=O)NCC2=CC=CS2

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OCC(=O)NCC2=CC=CS2

InChI

InChI=1S/C21H25N3O3S/c1-14(2)12-24-15(3)8-17(16(24)4)9-18(10-22)21(26)27-13-20(25)23-11-19-6-5-7-28-19/h5-9,14H,11-13H2,1-4H3,(H,23,25)