[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 6-chloro-4-oxo-chromene-2-carboxylate CAS Name: 6-chloro-4-oxo-1-benzopyran-2-carboxylic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 6-chloro-4-oxochromene-2-carboxylate Traditional Name: 6-chloro-4-keto-chromene-2-carboxylic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H11ClN2O5S MolecularWeight: 402.80834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C18H11ClN2O5S/c1-9-8-27-17(21-9)12(6-20)14(23)7-25-18(24)16-5-13(22)11-4-10(19)2-3-15(11)26-16/h2-5,8,12H,7H2,1H3/t12-/m1/s1