2-[4-chloranyl-5-methoxy-2-methyl-1-(5-oxidanylthiophen-3-yl)carbonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-5-methoxy-2-methyl-1-(5-oxidanylthiophen-3-yl)carbonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[4-chloro-1-(5-hydroxythiophene-3-carbonyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[4-chloro-1-[(5-hydroxy-3-thiophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[4-chloro-1-(5-hydroxythiophene-3-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid Traditional Name: 2-[4-chloro-1-(5-hydroxythiophene-3-carbonyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid Formula: C17H14ClNO5S MolecularWeight: 379.81476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CSC(=C3)O)C=CC(=C2Cl)OC)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CSC(=C3)O)C=CC(=C2Cl)OC)CC(=O)O

InChI

InChI=1S/C17H14ClNO5S/c1-8-10(6-13(20)21)15-11(3-4-12(24-2)16(15)18)19(8)17(23)9-5-14(22)25-7-9/h3-5,7,22H,6H2,1-2H3,(H,20,21)