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

Systemtic Name: 2-[2,5-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indol-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-3-(4-methyloxazol-2-yl)sulfanyl-indol-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-3-[(4-methyl-2-oxazolyl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]indol-1-yl]acetic acid Traditional Name: 2-[2,5-dimethyl-3-[(4-methyloxazol-2-yl)thio]indol-1-yl]acetic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2SC3=NC(=CO3)C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2SC3=NC(=CO3)C)C)CC(=O)O

InChI

InChI=1S/C16H16N2O3S/c1-9-4-5-13-12(6-9)15(11(3)18(13)7-14(19)20)22-16-17-10(2)8-21-16/h4-6,8H,7H2,1-3H3,(H,19,20)