[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic 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] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)C(C#N)C2=NC(=CS2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C

InChI

InChI=1S/C18H18N2O4S2/c1-3-23-13-4-6-14(7-5-13)25-11-17(22)24-9-16(21)15(8-19)18-20-12(2)10-26-18/h4-7,10,15H,3,9,11H2,1-2H3/t15-/m0/s1