ethyl 4-[(3S)-3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[(3S)-3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[(3S)-3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-(4,5-dihydro-1H-imidazol-2-ylthio)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-3-(2-imidazolin-2-ylthio)-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NCCN3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)SC3=NCCN3

InChI

InChI=1S/C16H17N3O4S/c1-2-23-15(22)10-3-5-11(6-4-10)19-13(20)9-12(14(19)21)24-16-17-7-8-18-16/h3-6,12H,2,7-9H2,1H3,(H,17,18)/t12-/m0/s1