4-(5-chloranyl-1-benzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(5-chloranyl-1-benzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(5-chlorobenzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(5-chloro-1-benzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(5-chloro-1-benzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(5-chlorobenzothiophen-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H14ClNO4S MolecularWeight: 363.81536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CSC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CSC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H14ClNO4S/c1-7-13(16(20)21)15(14(17(22)23)8(2)19-7)11-6-24-12-4-3-9(18)5-10(11)12/h3-6,15,19H,1-2H3,(H,20,21)(H,22,23)