ethyl 4-[3-[(2R)-2-azanyl-3-ethoxy-3-oxidanylidene-propyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(2R)-2-azanyl-3-ethoxy-3-oxidanylidene-propyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-[(2R)-2-amino-3-ethoxy-3-oxo-propyl]sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[(2R)-2-amino-3-ethoxy-3-oxopropyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2R)-2-amino-3-ethoxy-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[[(2R)-2-amino-3-ethoxy-3-keto-propyl]thio]-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC[C@@H](C(=O)OCC)N

InChI

InChI=1S/C18H22N2O6S/c1-3-25-17(23)11-5-7-12(8-6-11)20-15(21)9-14(16(20)22)27-10-13(19)18(24)26-4-2/h5-8,13-14H,3-4,9-10,19H2,1-2H3/t13-,14?/m0/s1