2-[4-acetamido-2-methyl-3-(4-phenylphenyl)sulfanyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[4-acetamido-2-methyl-3-(4-phenylphenyl)sulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[4-acetamido-2-methyl-3-(4-phenylphenyl)sulfanyl-indol-1-yl]acetic acid CAS Name: 2-[4-acetamido-2-methyl-3-[(4-phenylphenyl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[4-acetamido-2-methyl-3-(4-phenylphenyl)sulfanylindol-1-yl]acetic acid Traditional Name: 2-[4-acetamido-2-methyl-3-[(4-phenylphenyl)thio]indol-1-yl]acetic acid Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NC(=O)C)SC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NC(=O)C)SC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-16-25(31-20-13-11-19(12-14-20)18-7-4-3-5-8-18)24-21(26-17(2)28)9-6-10-22(24)27(16)15-23(29)30/h3-14H,15H2,1-2H3,(H,26,28)(H,29,30)