methyl 4-[3-[2-(furan-2-ylcarbonylamino)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(furan-2-ylcarbonylamino)-1,3-thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(furan-2-carbonylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[[2-furanyl(oxo)methyl]amino]-4-thiazolyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(2-furoylamino)thiazol-4-yl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CSC(=N3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CSC(=N3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H19N3O4S/c1-13-11-17(14(2)25(13)16-8-6-15(7-9-16)21(27)28-3)18-12-30-22(23-18)24-20(26)19-5-4-10-29-19/h4-12H,1-3H3,(H,23,24,26)