4-(3-methoxy-4-oxidanyl-phenyl)-3-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Systemtic Name: 4-(3-methoxy-4-oxidanyl-phenyl)-3-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Openeye Name: 4-(4-hydroxy-3-methoxy-phenyl)-3-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-(methylthio)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Traditional Name: 4-(4-hydroxy-3-methoxy-phenyl)-3-methyl-6-(methylthio)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(C=CC(=C2)SC)NC1C(=O)O)C3=CC(=C(C=C3)O)OC

Isomeric SMILES

CC1C(C2=C(C=CC(=C2)SC)NC1C(=O)O)C3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C19H21NO4S/c1-10-17(11-4-7-15(21)16(8-11)24-2)13-9-12(25-3)5-6-14(13)20-18(10)19(22)23/h4-10,17-18,20-21H,1-3H3,(H,22,23)