ethyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-[2,5-bis(oxidanylidene)pyrrolidin-3-yl]propanoate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-[2,5-bis(oxidanylidene)pyrrolidin-3-yl]propanoate Openeye Name: ethyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(2,5-dioxopyrrolidin-3-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)-2-(2,5-dioxo-3-pyrrolidinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-ylsulfanyl)-2-(2,5-dioxopyrrolidin-3-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-2-(2,5-diketopyrrolidin-3-yl)propionic acid ethyl ester Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=NC2=CC=CC=C2S1)C3CC(=O)NC3=O

Isomeric SMILES

CCOC(=O)C(CSC1=NC2=CC=CC=C2S1)C3CC(=O)NC3=O

InChI

InChI=1S/C16H16N2O4S2/c1-2-22-15(21)10(9-7-13(19)18-14(9)20)8-23-16-17-11-5-3-4-6-12(11)24-16/h3-6,9-10H,2,7-8H2,1H3,(H,18,19,20)