4-(2-chloranylthiophen-3-yl)-2-methoxycarbonyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(2-chloranylthiophen-3-yl)-2-methoxycarbonyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2-chloro-3-thienyl)-2-methoxycarbonyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2-chloro-3-thiophenyl)-2-methoxycarbonyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2-chlorothiophen-3-yl)-2-methoxycarbonyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-carbomethoxy-4-(2-chloro-3-thienyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=C(N1)C(=O)OC)C(=O)O)C2=C(SC=C2)Cl

Isomeric SMILES

CC1=CC(C(=C(N1)C(=O)OC)C(=O)O)C2=C(SC=C2)Cl

InChI

InChI=1S/C13H12ClNO4S/c1-6-5-8(7-3-4-20-11(7)14)9(12(16)17)10(15-6)13(18)19-2/h3-5,8,15H,1-2H3,(H,16,17)