5-(4-methylphenyl)-3-(phenethylcarbamoylamino)thiophene-2-carboxylic acid

Systemtic Name: 5-(4-methylphenyl)-3-(phenethylcarbamoylamino)thiophene-2-carboxylic acid Openeye Name: 3-(phenethylcarbamoylamino)-5-(p-tolyl)thiophene-2-carboxylic acid CAS Name: 5-(4-methylphenyl)-3-[[oxo-(phenethylamino)methyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-methylphenyl)-3-(phenethylcarbamoylamino)thiophene-2-carboxylic acid Traditional Name: 3-(phenethylcarbamoylamino)-5-(p-tolyl)-2-thenoic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-14-7-9-16(10-8-14)18-13-17(19(27-18)20(24)25)23-21(26)22-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,24,25)(H2,22,23,26)