methyl 5-[[5-[(4-chloranylpyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[[5-[(4-chloranylpyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[5-[(4-chloro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[5-[(4-chloropyrazol-1-yl)methyl]-2-furoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl)C(=O)OC

InChI

InChI=1S/C17H13ClN4O4S/c1-9-12(5-19)16(27-14(9)17(24)25-2)21-15(23)13-4-3-11(26-13)8-22-7-10(18)6-20-22/h3-4,6-7H,8H2,1-2H3,(H,21,23)