[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-15-13-19(16(2)23(15)17-9-10-17)21(25)26-14-20(24)22-11-6-12-27-18-7-4-3-5-8-18/h3-5,7-8,13,17H,6,9-12,14H2,1-2H3,(H,22,24)