methyl 5-(diethylcarbamoyl)-2-(3,3-diphenylpropanoylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-(3,3-diphenylpropanoylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(3,3-diphenylpropanoylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[(1-oxo-3,3-diphenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-(3,3-diphenylpropanoylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(3,3-diphenylpropanoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C27H30N2O4S/c1-5-29(6-2)26(31)24-18(3)23(27(32)33-4)25(34-24)28-22(30)17-21(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21H,5-6,17H2,1-4H3,(H,28,30)