[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate CAS Name: 2,5-dimethyl-3-thiophenecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate Traditional Name: 2,5-dimethylthiophene-3-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C18H21NO3S2/c1-13-11-16(14(2)24-13)18(21)22-12-17(20)19-9-6-10-23-15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,19,20)