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

Systemtic Name: 5-methyl-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid Openeye Name: 2-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]-5-methyl-thiophene-3-carboxylic acid CAS Name: 5-methyl-2-[[[2-[3-(1-methylethenyl)phenyl]propan-2-ylamino]-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-methyl-2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid Traditional Name: 2-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]-5-methyl-3-thenoic acid Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C)C(=O)O

InChI

InChI=1S/C19H22N2O3S/c1-11(2)13-7-6-8-14(10-13)19(4,5)21-18(24)20-16-15(17(22)23)9-12(3)25-16/h6-10H,1H2,2-5H3,(H,22,23)(H2,20,21,24)