3-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-(thiophen-2-ylmethyl)amino]propanoic acid

Systemtic Name: 3-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-(thiophen-2-ylmethyl)amino]propanoic acid Openeye Name: 3-[[4-(4-isopropylphenyl)thiazol-2-yl]-(2-thienylmethyl)amino]propanoic acid CAS Name: 3-[[4-(4-propan-2-ylphenyl)-2-thiazolyl]-(thiophen-2-ylmethyl)amino]propanoic acid IUPAC Name: 3-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-(thiophen-2-ylmethyl)amino]propanoic acid Traditional Name: 3-[(4-p-cumenylthiazol-2-yl)-(2-thenyl)amino]propionic acid Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC(=N2)N(CCC(=O)O)CC3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC(=N2)N(CCC(=O)O)CC3=CC=CS3

InChI

InChI=1S/C20H22N2O2S2/c1-14(2)15-5-7-16(8-6-15)18-13-26-20(21-18)22(10-9-19(23)24)12-17-4-3-11-25-17/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,23,24)