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

Systemtic Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Openeye Name: [2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] 2-(3-thienyl)thiazole-4-carboxylate CAS Name: 2-(3-thiophenyl)-4-thiazolecarboxylic acid [2-[[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-thienyl)thiazole-4-carboxylic acid [2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C22H18N4O4S2 MolecularWeight: 466.53272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CSC(=N2)C3=CSC=C3)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CSC(=N2)C3=CSC=C3)CC4=CC=CO4)C

InChI

InChI=1S/C22H18N4O4S2/c1-13-14(2)26(9-16-4-3-6-29-16)20(17(13)8-23)25-19(27)10-30-22(28)18-12-32-21(24-18)15-5-7-31-11-15/h3-7,11-12H,9-10H2,1-2H3,(H,25,27)