ethyl 5-methyl-4-(4-propylphenyl)-2-(pyrazin-2-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-(4-propylphenyl)-2-(pyrazin-2-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-(4-propylphenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[oxo(2-pyrazinyl)methyl]amino]-4-(4-propylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-propylphenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-(4-propylphenyl)-2-(pyrazinoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=NC=CN=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=NC=CN=C3)C

InChI

InChI=1S/C22H23N3O3S/c1-4-6-15-7-9-16(10-8-15)18-14(3)29-21(19(18)22(27)28-5-2)25-20(26)17-13-23-11-12-24-17/h7-13H,4-6H2,1-3H3,(H,25,26)