(phenylmethyl) 5-methyl-4-(2-phenylethanoylamino)thiophene-2-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-4-(2-phenylethanoylamino)thiophene-2-carboxylate Openeye Name: benzyl 5-methyl-4-[(2-phenylacetyl)amino]thiophene-2-carboxylate CAS Name: 5-methyl-4-[(1-oxo-2-phenylethyl)amino]-2-thiophenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-4-[(2-phenylacetyl)amino]thiophene-2-carboxylate Traditional Name: 5-methyl-4-[(2-phenylacetyl)amino]thiophene-2-carboxylic acid benzyl ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)OCC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(S1)C(=O)OCC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H19NO3S/c1-15-18(22-20(23)12-16-8-4-2-5-9-16)13-19(26-15)21(24)25-14-17-10-6-3-7-11-17/h2-11,13H,12,14H2,1H3,(H,22,23)