N-[(6R)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-m-phenetyl-cinchoninamide Formula: C31H33N3O3S MolecularWeight: 527.67702

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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)C(C)(C)C)C(=O)N

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)C[C@@H](CC5)C(C)(C)C)C(=O)N

InChI

InChI=1S/C31H33N3O3S/c1-5-37-20-10-8-9-18(15-20)25-17-23(21-11-6-7-12-24(21)33-25)29(36)34-30-27(28(32)35)22-14-13-19(31(2,3)4)16-26(22)38-30/h6-12,15,17,19H,5,13-14,16H2,1-4H3,(H2,32,35)(H,34,36)/t19-/m1/s1