2-indol-1-yl-3-oxidanylidene-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid

Systemtic Name: 2-indol-1-yl-3-oxidanylidene-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid Openeye Name: 2-indol-1-yl-3-oxo-3-[[4-(2,4,6-trimethylphenyl)thiazol-2-yl]amino]propanoic acid CAS Name: 2-(1-indolyl)-3-oxo-3-[[4-(2,4,6-trimethylphenyl)-2-thiazolyl]amino]propanoic acid IUPAC Name: 2-indol-1-yl-3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid Traditional Name: 2-indol-1-yl-3-keto-3-[(4-mesitylthiazol-2-yl)amino]propionic acid Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C(C(=O)O)N3C=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C(C(=O)O)N3C=CC4=CC=CC=C43)C

InChI

InChI=1S/C23H21N3O3S/c1-13-10-14(2)19(15(3)11-13)17-12-30-23(24-17)25-21(27)20(22(28)29)26-9-8-16-6-4-5-7-18(16)26/h4-12,20H,1-3H3,(H,28,29)(H,24,25,27)