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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-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-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C19H17NO3S3 MolecularWeight: 403.53818

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C19H17NO3S3/c21-18(13-4-6-14(7-5-13)19-25-9-2-10-26-19)22-12-15-11-16(23-20-15)17-3-1-8-24-17/h1,3-8,11,19H,2,9-10,12H2