2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]thiazole-4-carboxylic acid CAS Name: 2-[[[2-[3-(1-methylethenyl)phenyl]propan-2-ylamino]-oxomethyl]amino]-4-thiazolecarboxylic acid IUPAC Name: 2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]thiazole-4-carboxylic acid Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=NC(=CS2)C(=O)O

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2=NC(=CS2)C(=O)O

InChI

InChI=1S/C17H19N3O3S/c1-10(2)11-6-5-7-12(8-11)17(3,4)20-15(23)19-16-18-13(9-24-16)14(21)22/h5-9H,1H2,2-4H3,(H,21,22)(H2,18,19,20,23)