1-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

InChI

InChI=1S/C21H23NO3S/c1-2-13-8-9-18-14(11-13)12-19(26-18)20(23)22-10-4-6-15-16(21(24)25)5-3-7-17(15)22/h3,5,7,12-13H,2,4,6,8-11H2,1H3,(H,24,25)