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

Systemtic Name: 2-[4-acetamido-3-(4-cyanophenyl)sulfanyl-2-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[4-acetamido-3-(4-cyanophenyl)sulfanyl-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[4-acetamido-3-[(4-cyanophenyl)thio]-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[4-acetamido-3-(4-cyanophenyl)sulfanyl-2-methylindol-1-yl]acetic acid Traditional Name: 2-[4-acetamido-3-[(4-cyanophenyl)thio]-2-methyl-indol-1-yl]acetic acid Formula: C20H17N3O3S MolecularWeight: 379.43228

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S/c1-12-20(27-15-8-6-14(10-21)7-9-15)19-16(22-13(2)24)4-3-5-17(19)23(12)11-18(25)26/h3-9H,11H2,1-2H3,(H,22,24)(H,25,26)