[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)C(C#N)C2=NC(=CS2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C)OC

InChI

InChI=1S/C18H17ClN2O5S/c1-4-25-16-13(19)5-11(6-15(16)24-3)18(23)26-8-14(22)12(7-20)17-21-10(2)9-27-17/h5-6,9,12H,4,8H2,1-3H3/t12-/m0/s1