methyl 2-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-4-pyridin-4-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-methyl-1-benzofuran-2-yl)carbonylamino]-4-pyridin-4-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-methylbenzofuran-2-carbonyl)amino]-4-(4-pyridyl)thiophene-3-carboxylate CAS Name: 2-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-4-pyridin-4-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate Traditional Name: 2-[(3-methylbenzofuran-2-carbonyl)amino]-4-(4-pyridyl)thiophene-3-carboxylic acid methyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C(=CS3)C4=CC=NC=C4)C(=O)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C(=CS3)C4=CC=NC=C4)C(=O)OC

InChI

InChI=1S/C21H16N2O4S/c1-12-14-5-3-4-6-16(14)27-18(12)19(24)23-20-17(21(25)26-2)15(11-28-20)13-7-9-22-10-8-13/h3-11H,1-2H3,(H,23,24)