methyl 2-[(2-chloranylpyridin-3-yl)carbonylamino]-4-(4-propylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranylpyridin-3-yl)carbonylamino]-4-(4-propylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-4-(4-propylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-4-(4-propylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-4-(4-propylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-chloronicotinoyl)amino]-4-(4-propylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-3-5-13-7-9-14(10-8-13)16-12-28-20(17(16)21(26)27-2)24-19(25)15-6-4-11-23-18(15)22/h4,6-12H,3,5H2,1-2H3,(H,24,25)