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

Systemtic Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic 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] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C23H18ClN3O4S MolecularWeight: 467.92472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)CC4=CC=CO4)C

InChI

InChI=1S/C23H18ClN3O4S/c1-13-14(2)27(11-15-6-5-9-30-15)22(17(13)10-25)26-19(28)12-31-23(29)21-20(24)16-7-3-4-8-18(16)32-21/h3-9H,11-12H2,1-2H3,(H,26,28)