[2-[[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [2-[[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [2-[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]-2-oxo-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid [2-[[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid [2-[[(3R)-1,1-diketo-3-methyl-thiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC(=O)NC3(CCS(=O)(=O)C3)C

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC(=O)N[C@@]3(CCS(=O)(=O)C3)C

InChI

InChI=1S/C18H19N3O6S/c1-12-15(13(9-19)16(27-12)21-6-3-4-7-21)17(23)26-10-14(22)20-18(2)5-8-28(24,25)11-18/h3-4,6-7H,5,8,10-11H2,1-2H3,(H,20,22)/t18-/m1/s1