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

Systemtic Name: [2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methylthiophen-2-yl)methyl-phenethylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-keto-2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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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=CN3

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CN3

InChI

InChI=1S/C21H22N2O3S/c1-16-9-10-18(27-16)14-23(13-11-17-6-3-2-4-7-17)20(24)15-26-21(25)19-8-5-12-22-19/h2-10,12,22H,11,13-15H2,1H3