methyl 4-acetamido-3-(1,3-dithian-2-yl)benzoate

Systemtic Name: methyl 4-acetamido-3-(1,3-dithian-2-yl)benzoate Openeye Name: methyl 4-acetamido-3-(1,3-dithian-2-yl)benzoate CAS Name: 4-acetamido-3-(1,3-dithian-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-(1,3-dithian-2-yl)benzoate Traditional Name: 4-acetamido-3-(1,3-dithian-2-yl)benzoic acid methyl ester Formula: C14H17NO3S2 MolecularWeight: 311.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)C2SCCCS2

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)C2SCCCS2

InChI

InChI=1S/C14H17NO3S2/c1-9(16)15-12-5-4-10(13(17)18-2)8-11(12)14-19-6-3-7-20-14/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16)