methyl 2-[[2-(3-ethoxyphenyl)quinolin-4-yl]carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(3-ethoxyphenyl)quinolin-4-yl]carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(3-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-m-phenetylquinoline-4-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C34H30N2O4S MolecularWeight: 562.678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C6=CC=CC=C6)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C6=CC=CC=C6)C(=O)OC

InChI

InChI=1S/C34H30N2O4S/c1-3-40-24-13-9-12-23(18-24)29-20-27(25-14-7-8-15-28(25)35-29)32(37)36-33-31(34(38)39-2)26-17-16-22(19-30(26)41-33)21-10-5-4-6-11-21/h4-15,18,20,22H,3,16-17,19H2,1-2H3,(H,36,37)