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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC=C1)N2C3=C(C=C(C=C3)OCC4=C(C=CC(=C4)O)Cl)C=C2C(=O)O

Isomeric SMILES

CC(C1=CSC=C1)N2C3=C(C=C(C=C3)OCC4=C(C=CC(=C4)O)Cl)C=C2C(=O)O

InChI

InChI=1S/C22H18ClNO4S/c1-13(14-6-7-29-12-14)24-20-5-3-18(9-15(20)10-21(24)22(26)27)28-11-16-8-17(25)2-4-19(16)23/h2-10,12-13,25H,11H2,1H3,(H,26,27)