butyl 2-[(3-methyl-2-phenyl-quinolin-4-yl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[(3-methyl-2-phenyl-quinolin-4-yl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[(3-methyl-2-phenyl-quinoline-4-carbonyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[(3-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-methyl-2-phenyl-quinoline-4-carbonyl)amino]benzothiophene-3-carboxylic acid butyl ester Formula: C30H26N2O3S MolecularWeight: 494.60404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=CC=C5)C

InChI

InChI=1S/C30H26N2O3S/c1-3-4-18-35-30(34)26-22-15-9-11-17-24(22)36-29(26)32-28(33)25-19(2)27(20-12-6-5-7-13-20)31-23-16-10-8-14-21(23)25/h5-17H,3-4,18H2,1-2H3,(H,32,33)