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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C18H16N2O3S3 MolecularWeight: 404.52624

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4

InChI

InChI=1S/C18H16N2O3S3/c21-17(12-2-4-13(5-3-12)18-25-7-1-8-26-18)22-10-15-19-16(23-20-15)14-6-9-24-11-14/h2-6,9,11,18H,1,7-8,10H2