(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C18H15NO3S3 MolecularWeight: 389.5116

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C18H15NO3S3/c20-17(12-3-5-13(6-4-12)18-24-8-9-25-18)21-11-14-10-15(22-19-14)16-2-1-7-23-16/h1-7,10,18H,8-9,11H2