methyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(pyrazin-2-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(pyrazin-2-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: methyl 4-methyl-5-(o-tolylcarbamoyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate CAS Name: 4-methyl-5-[(2-methylanilino)-oxomethyl]-2-[[oxo(2-pyrazinyl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-methyl-5-(o-tolylcarbamoyl)-2-(pyrazinoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=NC=CN=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=NC=CN=C3)C(=O)OC)C

InChI

InChI=1S/C20H18N4O4S/c1-11-6-4-5-7-13(11)23-18(26)16-12(2)15(20(27)28-3)19(29-16)24-17(25)14-10-21-8-9-22-14/h4-10H,1-3H3,(H,23,26)(H,24,25)