N-[(6S)-3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]cinchoninamide Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H25N3O4S/c1-2-15-7-9-18-24(11-15)36-28(25(18)26(29)32)31-27(33)19-13-21(30-20-6-4-3-5-17(19)20)16-8-10-22-23(12-16)35-14-34-22/h3-6,8,10,12-13,15H,2,7,9,11,14H2,1H3,(H2,29,32)(H,31,33)/t15-/m0/s1