2-[(E)-2-[4-(5-acetamido-1-benzothiophen-2-yl)-2-butyl-phenyl]ethenyl]-4-chloranyl-benzoic acid

Systemtic Name: 2-[(E)-2-[4-(5-acetamido-1-benzothiophen-2-yl)-2-butyl-phenyl]ethenyl]-4-chloranyl-benzoic acid Openeye Name: 2-[(E)-2-[4-(5-acetamidobenzothiophen-2-yl)-2-butyl-phenyl]vinyl]-4-chloro-benzoic acid CAS Name: 2-[(E)-2-[4-(5-acetamido-1-benzothiophen-2-yl)-2-butylphenyl]ethenyl]-4-chlorobenzoic acid IUPAC Name: 2-[(E)-2-[4-(5-acetamido-1-benzothiophen-2-yl)-2-butylphenyl]ethenyl]-4-chlorobenzoic acid Traditional Name: 2-[(E)-2-[4-(5-acetamidobenzothiophen-2-yl)-2-butyl-phenyl]vinyl]-4-chloro-benzoic acid Formula: C29H26ClNO3S MolecularWeight: 504.03964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C2=CC3=C(S2)C=CC(=C3)NC(=O)C)C=CC4=C(C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C2=CC3=C(S2)C=CC(=C3)NC(=O)C)/C=C/C4=C(C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C29H26ClNO3S/c1-3-4-5-20-14-22(28-17-23-16-25(31-18(2)32)11-13-27(23)35-28)9-7-19(20)6-8-21-15-24(30)10-12-26(21)29(33)34/h6-17H,3-5H2,1-2H3,(H,31,32)(H,33,34)/b8-6+