[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 2-(2-thienyl)thiazole-4-carboxylate CAS Name: 2-thiophen-2-yl-4-thiazolecarboxylic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-thienyl)thiazole-4-carboxylic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=CSC(=N1)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=CSC(=N1)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S2/c1-23(15-7-3-2-4-8-15)11-6-10-21-18(24)13-26-20(25)16-14-28-19(22-16)17-9-5-12-27-17/h2-5,7-9,12,14H,6,10-11,13H2,1H3,(H,21,24)