2-[4,5-bis(chloranyl)-2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[4,5-bis(chloranyl)-2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid Openeye Name: 2-[4,5-dichloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid CAS Name: 2-[4,5-dichloro-2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-1-indolyl]acetic acid IUPAC Name: 2-[4,5-dichloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid Traditional Name: 2-[4,5-dichloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid Formula: C30H30Cl3N3O5S MolecularWeight: 651.0003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=C(SC(=N2)NC(=O)C3=CC4=C(N3CC(=O)O)C=CC(=C4Cl)Cl)CCC5CCCCC5)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1C2=C(SC(=N2)NC(=O)C3=CC4=C(N3CC(=O)O)C=CC(=C4Cl)Cl)CCC5CCCCC5)OC)Cl

InChI

InChI=1S/C30H30Cl3N3O5S/c1-40-23-14-20(32)24(41-2)13-18(23)28-25(11-8-16-6-4-3-5-7-16)42-30(34-28)35-29(39)22-12-17-21(36(22)15-26(37)38)10-9-19(31)27(17)33/h9-10,12-14,16H,3-8,11,15H2,1-2H3,(H,37,38)(H,34,35,39)