diethyl 2-(2-methylpropylamino)-5-(phenylmethyl)thiophene-3,4-dicarboxylate

Systemtic Name: diethyl 2-(2-methylpropylamino)-5-(phenylmethyl)thiophene-3,4-dicarboxylate Openeye Name: diethyl 2-benzyl-5-(isobutylamino)thiophene-3,4-dicarboxylate CAS Name: 2-(2-methylpropylamino)-5-(phenylmethyl)thiophene-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-benzyl-5-(2-methylpropylamino)thiophene-3,4-dicarboxylate Traditional Name: 2-benzyl-5-(isobutylamino)thiophene-3,4-dicarboxylic acid diethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C(=O)OCC)NCC(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C(=O)OCC)NCC(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4S/c1-5-25-20(23)17-16(12-15-10-8-7-9-11-15)27-19(22-13-14(3)4)18(17)21(24)26-6-2/h7-11,14,22H,5-6,12-13H2,1-4H3