[2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methylthiophen-2-yl)methyl-phenethylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-keto-2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CN3C

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CN3C

InChI

InChI=1S/C22H24N2O3S/c1-17-10-11-19(28-17)15-24(14-12-18-7-4-3-5-8-18)21(25)16-27-22(26)20-9-6-13-23(20)2/h3-11,13H,12,14-16H2,1-2H3