4-chloranylbenzoic acid; 4-(7-chloranyl-5-methyl-1-benzothiophen-2-yl)-1-methyl-3,6-dihydro-2H-pyridine

Systemtic Name: 4-chloranylbenzoic acid; 4-(7-chloranyl-5-methyl-1-benzothiophen-2-yl)-1-methyl-3,6-dihydro-2H-pyridine Openeye Name: 4-chlorobenzoic acid; 4-(7-chloro-5-methyl-benzothiophen-2-yl)-1-methyl-3,6-dihydro-2H-pyridine CAS Name: 4-chlorobenzoic acid; 4-(7-chloro-5-methyl-1-benzothiophen-2-yl)-1-methyl-3,6-dihydro-2H-pyridine IUPAC Name: 4-chlorobenzoic acid; 4-(7-chloro-5-methyl-1-benzothiophen-2-yl)-1-methyl-3,6-dihydro-2H-pyridine Traditional Name: 4-chlorobenzoic acid; 4-(7-chloro-5-methyl-benzothiophen-2-yl)-1-methyl-3,6-dihydro-2H-pyridine Formula: C22H21Cl2NO2S MolecularWeight: 434.37864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(S2)C3=CCN(CC3)C)Cl.C1=CC(=CC=C1C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(S2)C3=CCN(CC3)C)Cl.C1=CC(=CC=C1C(=O)O)Cl

InChI

InChI=1S/C15H16ClNS.C7H5ClO2/c1-10-7-12-9-14(18-15(12)13(16)8-10)11-3-5-17(2)6-4-11;8-6-3-1-5(2-4-6)7(9)10/h3,7-9H,4-6H2,1-2H3;1-4H,(H,9,10)