2-[6-chloranyl-1-[(5-cyanothiophen-3-yl)methyl]-2-methyl-5-oxidanyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-1-[(5-cyanothiophen-3-yl)methyl]-2-methyl-5-oxidanyl-indol-3-yl]ethanoic acid Openeye Name: 2-[6-chloro-1-[(5-cyano-3-thienyl)methyl]-5-hydroxy-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[6-chloro-1-[(5-cyano-3-thiophenyl)methyl]-5-hydroxy-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[6-chloro-1-[(5-cyanothiophen-3-yl)methyl]-5-hydroxy-2-methylindol-3-yl]acetic acid Traditional Name: 2-[6-chloro-1-[(5-cyano-3-thienyl)methyl]-5-hydroxy-2-methyl-indol-3-yl]acetic acid Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1CC3=CSC(=C3)C#N)Cl)O)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1CC3=CSC(=C3)C#N)Cl)O)CC(=O)O

InChI

InChI=1S/C17H13ClN2O3S/c1-9-12(4-17(22)23)13-3-16(21)14(18)5-15(13)20(9)7-10-2-11(6-19)24-8-10/h2-3,5,8,21H,4,7H2,1H3,(H,22,23)