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

Systemtic Name: methyl 3-[2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[[2-(2-methylanilino)-2-oxo-ethyl]-propyl-amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[2-keto-2-(o-toluidino)ethyl]-propyl-amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=C(SC=C1)C(=O)OC)CC(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCCN(CC(=O)NC1=C(SC=C1)C(=O)OC)CC(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C20H25N3O4S/c1-4-10-23(12-17(24)21-15-8-6-5-7-14(15)2)13-18(25)22-16-9-11-28-19(16)20(26)27-3/h5-9,11H,4,10,12-13H2,1-3H3,(H,21,24)(H,22,25)