methyl 5-methylsulfanyl-4-(quinolin-2-ylmethylamino)thiophene-2-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-4-(quinolin-2-ylmethylamino)thiophene-2-carboxylate Openeye Name: methyl 5-methylsulfanyl-4-(2-quinolylmethylamino)thiophene-2-carboxylate CAS Name: 5-(methylthio)-4-(2-quinolinylmethylamino)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-4-(quinolin-2-ylmethylamino)thiophene-2-carboxylate Traditional Name: 5-(methylthio)-4-(2-quinolylmethylamino)thiophene-2-carboxylic acid methyl ester Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)NCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)NCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H16N2O2S2/c1-21-16(20)15-9-14(17(22-2)23-15)18-10-12-8-7-11-5-3-4-6-13(11)19-12/h3-9,18H,10H2,1-2H3