ethyl 5-methyl-1-[4-[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[allyl(2-thienylmethyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[prop-2-enyl(thiophen-2-ylmethyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-[allyl(2-thenyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N(CC=C)CC3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N(CC=C)CC3=CC=CS3)C

InChI

InChI=1S/C22H23N3O3S/c1-4-12-24(15-19-7-6-13-29-19)21(26)17-8-10-18(11-9-17)25-16(3)20(14-23-25)22(27)28-5-2/h4,6-11,13-14H,1,5,12,15H2,2-3H3