ethyl 2-(2-methylpropylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-methylpropylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(isobutylamino)thiophene-3-carboxylate CAS Name: 2-(2-methylpropylamino)-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(2-methylpropylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(isobutylamino)thiophene-3-carboxylic acid ethyl ester Formula: C18H23NO2S MolecularWeight: 317.44572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO2S/c1-4-21-18(20)16-11-15(10-14-8-6-5-7-9-14)22-17(16)19-12-13(2)3/h5-9,11,13,19H,4,10,12H2,1-3H3