2-[2-[[6-bromanyl-4-(dimethylaminomethyl)-3-ethoxycarbonyl-1-methyl-5-oxidanyl-indol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[[6-bromanyl-4-(dimethylaminomethyl)-3-ethoxycarbonyl-1-methyl-5-oxidanyl-indol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[[6-bromo-4-(dimethylaminomethyl)-3-ethoxycarbonyl-5-hydroxy-1-methyl-indol-2-yl]methylsulfanyl]-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[[6-bromo-4-(dimethylaminomethyl)-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-indolyl]methylthio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[[6-bromo-4-(dimethylaminomethyl)-3-ethoxycarbonyl-5-hydroxy-1-methylindol-2-yl]methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[6-bromo-3-carbethoxy-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-indol-2-yl]methylthio]-4-methyl-thiazol-5-yl]acetic acid Formula: C22H26BrN3O5S2 MolecularWeight: 556.49294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=NC(=C(S3)CC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=NC(=C(S3)CC(=O)O)C

InChI

InChI=1S/C22H26BrN3O5S2/c1-6-31-21(30)19-15(10-32-22-24-11(2)16(33-22)8-17(27)28)26(5)14-7-13(23)20(29)12(18(14)19)9-25(3)4/h7,29H,6,8-10H2,1-5H3,(H,27,28)