N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloranyl-2-(2-ethoxyphenyl)-8-methyl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloranyl-2-(2-ethoxyphenyl)-8-methyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-2-(2-ethoxyphenyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-2-(2-ethoxyphenyl)-8-methyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-2-(2-ethoxyphenyl)-8-methylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-2-o-phenetyl-cinchoninamide Formula: C30H30ClN3O3S MolecularWeight: 548.0955

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC=CC=C5OCC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC=CC=C5OCC

InChI

InChI=1S/C30H30ClN3O3S/c1-4-17-10-11-20-25(14-17)38-30(26(20)28(32)35)34-29(36)21-15-23(19-8-6-7-9-24(19)37-5-2)33-27-16(3)22(31)13-12-18(21)27/h6-9,12-13,15,17H,4-5,10-11,14H2,1-3H3,(H2,32,35)(H,34,36)