methyl 4-[2,5-bis(oxidanylidene)-3-thiomorpholin-4-yl-pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-bis(oxidanylidene)-3-thiomorpholin-4-yl-pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-(2,5-dioxo-3-thiomorpholino-pyrrolidin-1-yl)benzoate CAS Name: 4-(2,5-dioxo-3-thiomorpholin-4-yl-1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2,5-dioxo-3-thiomorpholin-4-ylpyrrolidin-1-yl)benzoate Traditional Name: 4-(2,5-diketo-3-thiomorpholino-pyrrolidino)benzoic acid methyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCSCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCSCC3

InChI

InChI=1S/C16H18N2O4S/c1-22-16(21)11-2-4-12(5-3-11)18-14(19)10-13(15(18)20)17-6-8-23-9-7-17/h2-5,13H,6-10H2,1H3