sodium 4-oxidanylidene-5-[[2-(phenylmethyl)-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazol-2-olate

Systemtic Name: sodium 4-oxidanylidene-5-[[2-(phenylmethyl)-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazol-2-olate Openeye Name: sodium 5-[(2-benzylchroman-6-yl)methyl]-4-oxo-thiazol-2-olate CAS Name: sodium 4-oxo-5-[[2-(phenylmethyl)-3,4-dihydro-2H-1-benzopyran-6-yl]methyl]-2-thiazololate IUPAC Name: sodium 5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-4-oxo-1,3-thiazol-2-olate Traditional Name: sodium 5-[(2-benzylchroman-6-yl)methyl]-4-keto-2-thiazolin-2-olate Formula: C20H18NNaO3S MolecularWeight: 375.41659

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CC3C(=O)N=C(S3)[O-])OC1CC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1CC2=C(C=CC(=C2)CC3C(=O)N=C(S3)[O-])OC1CC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C20H19NO3S.Na/c22-19-18(25-20(23)21-19)12-14-6-9-17-15(10-14)7-8-16(24-17)11-13-4-2-1-3-5-13;/h1-6,9-10,16,18H,7-8,11-12H2,(H,21,22,23);/q;+1/p-1