methyl 3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[[1-[(2,4,6-trimethylphenyl)methyl]-2-pyrrolyl]methylamino]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylate Traditional Name: 3-[[1-(2,4,6-trimethylbenzyl)pyrrol-2-yl]methylcarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CN2C=CC=C2CNC(=O)NC3=C(SC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CN2C=CC=C2CNC(=O)NC3=C(SC=C3)C(=O)OC)C

InChI

InChI=1S/C22H25N3O3S/c1-14-10-15(2)18(16(3)11-14)13-25-8-5-6-17(25)12-23-22(27)24-19-7-9-29-20(19)21(26)28-4/h5-11H,12-13H2,1-4H3,(H2,23,24,27)