ethyl 5-methyl-1-[4-[(3-methylthiophen-2-yl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[(3-methylthiophen-2-yl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[(3-methyl-2-thienyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[[(3-methyl-2-thiophenyl)methylamino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[(3-methylthiophen-2-yl)methylcarbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[(3-methyl-2-thienyl)methylcarbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=C(C=CS3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=C(C=CS3)C)C

InChI

InChI=1S/C20H21N3O3S/c1-4-26-20(25)17-11-22-23(14(17)3)16-7-5-15(6-8-16)19(24)21-12-18-13(2)9-10-27-18/h5-11H,4,12H2,1-3H3,(H,21,24)