methyl 3-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[cyclopropyl(p-tolylmethyl)amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[cyclopropyl-(4-methylbenzyl)amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC(=O)NC2=C(SC=C2)C(=O)OC)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC(=O)NC2=C(SC=C2)C(=O)OC)C3CC3

InChI

InChI=1S/C19H22N2O3S/c1-13-3-5-14(6-4-13)11-21(15-7-8-15)12-17(22)20-16-9-10-25-18(16)19(23)24-2/h3-6,9-10,15H,7-8,11-12H2,1-2H3,(H,20,22)