ethyl 2-[2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[2-(2-methylanilino)-2-oxo-ethyl]-propyl-amino]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[2-keto-2-(o-toluidino)ethyl]-propyl-amino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)CC(=O)NC2=C(C=CS2)C(=O)OCC

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)CC(=O)NC2=C(C=CS2)C(=O)OCC

InChI

InChI=1S/C21H27N3O4S/c1-4-11-24(13-18(25)22-17-9-7-6-8-15(17)3)14-19(26)23-20-16(10-12-29-20)21(27)28-5-2/h6-10,12H,4-5,11,13-14H2,1-3H3,(H,22,25)(H,23,26)