2-[carboxymethylsulfanyl-(5-chloranyl-2-ethoxycarbonyl-1H-indol-3-yl)methyl]sulfanylethanoic acid

Systemtic Name: 2-[carboxymethylsulfanyl-(5-chloranyl-2-ethoxycarbonyl-1H-indol-3-yl)methyl]sulfanylethanoic acid Openeye Name: 2-[carboxymethylsulfanyl-(5-chloro-2-ethoxycarbonyl-1H-indol-3-yl)methyl]sulfanylacetic acid CAS Name: 2-[[(carboxymethylthio)-(5-chloro-2-ethoxycarbonyl-1H-indol-3-yl)methyl]thio]acetic acid IUPAC Name: 2-[carboxymethylsulfanyl-(5-chloro-2-ethoxycarbonyl-1H-indol-3-yl)methyl]sulfanylacetic acid Traditional Name: 2-[[(2-carbethoxy-5-chloro-1H-indol-3-yl)-(carboxymethylthio)methyl]thio]acetic acid Formula: C16H16ClNO6S2 MolecularWeight: 417.88434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)C(SCC(=O)O)SCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)C(SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C16H16ClNO6S2/c1-2-24-15(23)14-13(9-5-8(17)3-4-10(9)18-14)16(25-6-11(19)20)26-7-12(21)22/h3-5,16,18H,2,6-7H2,1H3,(H,19,20)(H,21,22)