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

Systemtic Name: 4-[(3S)-3-[(2S)-2-azanyl-3-ethoxy-3-oxidanylidene-propyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3S)-3-[(2S)-2-amino-3-ethoxy-3-oxo-propyl]sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-[[(2S)-2-amino-3-ethoxy-3-oxopropyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3S)-3-[(2S)-2-amino-3-ethoxy-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-3-[[(2S)-2-amino-3-ethoxy-3-keto-propyl]thio]-2,5-diketo-pyrrolidino]benzoate Formula: C16H17N2O6S- MolecularWeight: 365.38098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)[O-])N

Isomeric SMILES

CCOC(=O)[C@@H](CS[C@H]1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)[O-])N

InChI

InChI=1S/C16H18N2O6S/c1-2-24-16(23)11(17)8-25-12-7-13(19)18(14(12)20)10-5-3-9(4-6-10)15(21)22/h3-6,11-12H,2,7-8,17H2,1H3,(H,21,22)/p-1/t11-,12+/m1/s1