2-(5-ethylthiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: 2-(5-ethylthiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: 2-(5-ethyl-2-thienyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(5-ethyl-2-thiophenyl)-6,8-dimethyl-4-quinolinecarboxylate IUPAC Name: 2-(5-ethylthiophen-2-yl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(5-ethyl-2-thienyl)-6,8-dimethyl-cinchoninate Formula: C18H16NO2S- MolecularWeight: 310.39014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)[O-])C)C

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)[O-])C)C

InChI

InChI=1S/C18H17NO2S/c1-4-12-5-6-16(22-12)15-9-14(18(20)21)13-8-10(2)7-11(3)17(13)19-15/h5-9H,4H2,1-3H3,(H,20,21)/p-1