5-[(5Z)-5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate

Systemtic Name: 5-[(5Z)-5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate Openeye Name: 5-[(5Z)-5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanoate CAS Name: 5-[(5Z)-5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanoate IUPAC Name: 5-[(5Z)-5-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate Traditional Name: 5-[(5Z)-5-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]valerate Formula: C20H22NO5S2- MolecularWeight: 420.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C3C(=O)N(C(=S)S3)CCCCC(=O)[O-])OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C\3/C(=O)N(C(=S)S3)CCCCC(=O)[O-])O[C@H](C2)C

InChI

InChI=1S/C20H23NO5S2/c1-3-25-15-9-13-8-12(2)26-16(13)10-14(15)11-17-19(24)21(20(27)28-17)7-5-4-6-18(22)23/h9-12H,3-8H2,1-2H3,(H,22,23)/p-1/b17-11-/t12-/m0/s1