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

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C20H19NO3S3 MolecularWeight: 417.56476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C20H19NO3S3/c1-13-16(21-18(24-13)17-4-2-9-25-17)12-23-19(22)14-5-7-15(8-6-14)20-26-10-3-11-27-20/h2,4-9,20H,3,10-12H2,1H3