5-[(2-chloranyl-5-oxidanyl-phenyl)methoxy]-1-(2-thiophen-3-ylethyl)indole-2-carboxylic acid

Systemtic Name: 5-[(2-chloranyl-5-oxidanyl-phenyl)methoxy]-1-(2-thiophen-3-ylethyl)indole-2-carboxylic acid Openeye Name: 5-[(2-chloro-5-hydroxy-phenyl)methoxy]-1-[2-(3-thienyl)ethyl]indole-2-carboxylic acid CAS Name: 5-[(2-chloro-5-hydroxyphenyl)methoxy]-1-[2-(3-thiophenyl)ethyl]-2-indolecarboxylic acid IUPAC Name: 5-[(2-chloro-5-hydroxyphenyl)methoxy]-1-(2-thiophen-3-ylethyl)indole-2-carboxylic acid Traditional Name: 5-(2-chloro-5-hydroxy-benzyl)oxy-1-[2-(3-thienyl)ethyl]indole-2-carboxylic acid Formula: C22H18ClNO4S MolecularWeight: 427.90062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CCC4=CSC=C4)Cl

Isomeric SMILES

C1=CC(=C(C=C1O)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CCC4=CSC=C4)Cl

InChI

InChI=1S/C22H18ClNO4S/c23-19-3-1-17(25)9-16(19)12-28-18-2-4-20-15(10-18)11-21(22(26)27)24(20)7-5-14-6-8-29-13-14/h1-4,6,8-11,13,25H,5,7,12H2,(H,26,27)