[4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate

Systemtic Name: [4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate Openeye Name: [4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate CAS Name: 1-methyl-3-pyrazolecarboxylic acid [4-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate Traditional Name: 1-methylpyrazole-3-carboxylic acid [4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]phenyl] ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCC4)C#N

Isomeric SMILES

CN1C=CC(=N1)C(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCC4)C#N

InChI

InChI=1S/C20H16N4O3S/c1-24-10-9-16(23-24)20(26)27-13-7-5-12(6-8-13)18(25)22-19-15(11-21)14-3-2-4-17(14)28-19/h5-10H,2-4H2,1H3,(H,22,25)