methyl 4-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)benzoate

Systemtic Name: methyl 4-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)benzoate Openeye Name: methyl 4-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)benzoate CAS Name: 4-(5,6,7,8-tetrahydroquinolin-8-ylthio)benzoic acid methyl ester IUPAC Name: methyl 4-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)benzoate Traditional Name: 4-(5,6,7,8-tetrahydroquinolin-8-ylthio)benzoic acid methyl ester Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC2CCCC3=C2N=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC2CCCC3=C2N=CC=C3

InChI

InChI=1S/C17H17NO2S/c1-20-17(19)13-7-9-14(10-8-13)21-15-6-2-4-12-5-3-11-18-16(12)15/h3,5,7-11,15H,2,4,6H2,1H3