5-ethyl-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid

Systemtic Name: 5-ethyl-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid Openeye Name: 5-ethyl-2-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]thiophene-3-carboxylic acid CAS Name: 5-ethyl-2-[[[2-[3-(1-methylethenyl)phenyl]propan-2-ylamino]-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-ethyl-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid Traditional Name: 5-ethyl-2-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]-3-thenoic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C)C(=O)O

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C)C(=O)O

InChI

InChI=1S/C20H24N2O3S/c1-6-15-11-16(18(23)24)17(26-15)21-19(25)22-20(4,5)14-9-7-8-13(10-14)12(2)3/h7-11H,2,6H2,1,3-5H3,(H,23,24)(H2,21,22,25)