2-[4-acetamido-2-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]sulfanyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[4-acetamido-2-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]sulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[4-acetamido-2-methyl-3-(4-oxazol-5-ylphenyl)sulfanyl-indol-1-yl]acetic acid CAS Name: 2-[4-acetamido-2-methyl-3-[[4-(5-oxazolyl)phenyl]thio]-1-indolyl]acetic acid IUPAC Name: 2-[4-acetamido-2-methyl-3-[4-(1,3-oxazol-5-yl)phenyl]sulfanylindol-1-yl]acetic acid Traditional Name: 2-[4-acetamido-2-methyl-3-[(4-oxazol-5-ylphenyl)thio]indol-1-yl]acetic acid Formula: C22H19N3O4S MolecularWeight: 421.46896

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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=CN=CO4

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NC(=O)C)SC3=CC=C(C=C3)C4=CN=CO4

InChI

InChI=1S/C22H19N3O4S/c1-13-22(30-16-8-6-15(7-9-16)19-10-23-12-29-19)21-17(24-14(2)26)4-3-5-18(21)25(13)11-20(27)28/h3-10,12H,11H2,1-2H3,(H,24,26)(H,27,28)