3-[[4-[[(4-cyclohexylphenyl)-(4-oxidanylideneindeno[1,2-d][1,3]thiazol-2-yl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-cyclohexylphenyl)-(4-oxidanylideneindeno[1,2-d][1,3]thiazol-2-yl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexyl-N-(4-oxoindeno[1,2-d]thiazol-2-yl)anilino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexyl-N-(4-oxo-2-indeno[1,2-d]thiazolyl)anilino)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexyl-N-(4-oxoindeno[1,2-d][1,3]thiazol-2-yl)anilino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexyl-N-(4-ketoindeno[1,2-d]thiazol-2-yl)anilino)methyl]benzoyl]amino]propionic acid Formula: C33H31N3O4S MolecularWeight: 565.68194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=NC5=C(S4)C(=O)C6=CC=CC=C65

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=NC5=C(S4)C(=O)C6=CC=CC=C65

InChI

InChI=1S/C33H31N3O4S/c37-28(38)18-19-34-32(40)24-12-10-21(11-13-24)20-36(25-16-14-23(15-17-25)22-6-2-1-3-7-22)33-35-29-26-8-4-5-9-27(26)30(39)31(29)41-33/h4-5,8-17,22H,1-3,6-7,18-20H2,(H,34,40)(H,37,38)