ethyl 2-[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=C(C(=C(N1CC2=CC=CO2)C)C)C#N

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=C(C(=C(N1CC2=CC=CO2)C)C)C#N

InChI

InChI=1S/C18H21N3O4S/c1-4-24-17(23)11-26-10-16(22)20-18-15(8-19)12(2)13(3)21(18)9-14-6-5-7-25-14/h5-7H,4,9-11H2,1-3H3,(H,20,22)