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

Systemtic Name: ethyl 6-ethyl-2-[(6-ethyl-2-thiophen-2-yl-quinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[[6-ethyl-2-(2-thienyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-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 6-ethyl-2-[(6-ethyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[[6-ethyl-2-(2-thienyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H30N2O3S2 MolecularWeight: 518.6901

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)CC)C5=CC=CS5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=NC4=C3C=C(C=C4)CC)C5=CC=CS5

InChI

InChI=1S/C29H30N2O3S2/c1-4-17-10-12-22-20(14-17)21(16-23(30-22)24-8-7-13-35-24)27(32)31-28-26(29(33)34-6-3)19-11-9-18(5-2)15-25(19)36-28/h7-8,10,12-14,16,18H,4-6,9,11,15H2,1-3H3,(H,31,32)