2-[2-[3-(6-methoxy-3-methyl-1-benzothiophen-2-yl)heptylsulfanyl]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[3-(6-methoxy-3-methyl-1-benzothiophen-2-yl)heptylsulfanyl]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[3-(6-methoxy-3-methyl-benzothiophen-2-yl)heptylsulfanyl]thiazol-4-yl]acetic acid CAS Name: 2-[2-[3-(6-methoxy-3-methyl-1-benzothiophen-2-yl)heptylthio]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[3-(6-methoxy-3-methyl-1-benzothiophen-2-yl)heptylsulfanyl]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[3-(6-methoxy-3-methyl-benzothiophen-2-yl)heptylthio]thiazol-4-yl]acetic acid Formula: C22H27NO3S3 MolecularWeight: 449.64968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCSC1=NC(=CS1)CC(=O)O)C2=C(C3=C(S2)C=C(C=C3)OC)C

Isomeric SMILES

CCCCC(CCSC1=NC(=CS1)CC(=O)O)C2=C(C3=C(S2)C=C(C=C3)OC)C

InChI

InChI=1S/C22H27NO3S3/c1-4-5-6-15(9-10-27-22-23-16(13-28-22)11-20(24)25)21-14(2)18-8-7-17(26-3)12-19(18)29-21/h7-8,12-13,15H,4-6,9-11H2,1-3H3,(H,24,25)