propyl 4-(2,4-dimethylphenyl)-2-(pyrazin-2-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: propyl 4-(2,4-dimethylphenyl)-2-(pyrazin-2-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: propyl 4-(2,4-dimethylphenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-2-[[oxo(2-pyrazinyl)methyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 4-(2,4-dimethylphenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)-2-(pyrazinoylamino)thiophene-3-carboxylic acid propyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)C3=NC=CN=C3

Isomeric SMILES

CCCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C21H21N3O3S/c1-4-9-27-21(26)18-16(15-6-5-13(2)10-14(15)3)12-28-20(18)24-19(25)17-11-22-7-8-23-17/h5-8,10-12H,4,9H2,1-3H3,(H,24,25)