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

Systemtic Name: ethyl 2-[(6-ethyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[6-ethyl-2-(2-thienyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6-ethyl-2-thiophen-2-yl-4-quinolinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-ethyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-ethyl-2-(2-thienyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O3S2 MolecularWeight: 490.63694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)C5=CC=CS5

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)C5=CC=CS5

InChI

InChI=1S/C27H26N2O3S2/c1-3-16-11-12-20-18(14-16)19(15-21(28-20)23-10-7-13-33-23)25(30)29-26-24(27(31)32-4-2)17-8-5-6-9-22(17)34-26/h7,10-15H,3-6,8-9H2,1-2H3,(H,29,30)