ethyl 2-[2-(6-ethyl-3-methyl-quinolin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(6-ethyl-3-methyl-quinolin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(6-ethyl-3-methyl-2-quinolyl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-ethyl-3-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-ethyl-3-methylquinolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(6-ethyl-3-methyl-2-quinolyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)C

Isomeric SMILES

CCC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)C

InChI

InChI=1S/C25H28N2O3S2/c1-4-16-10-11-19-17(13-16)12-15(3)23(26-19)31-14-21(28)27-24-22(25(29)30-5-2)18-8-6-7-9-20(18)32-24/h10-13H,4-9,14H2,1-3H3,(H,27,28)