methyl 7-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]heptanoate Openeye Name: methyl 7-[[4-(1,3-dithian-2-yl)benzoyl]amino]heptanoate CAS Name: 7-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[4-(1,3-dithian-2-yl)benzoyl]amino]heptanoate Traditional Name: 7-[[4-(1,3-dithian-2-yl)benzoyl]amino]enanthic acid methyl ester Formula: C19H27NO3S2 MolecularWeight: 381.55258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CC=C(C=C1)C2SCCCS2

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CC=C(C=C1)C2SCCCS2

InChI

InChI=1S/C19H27NO3S2/c1-23-17(21)7-4-2-3-5-12-20-18(22)15-8-10-16(11-9-15)19-24-13-6-14-25-19/h8-11,19H,2-7,12-14H2,1H3,(H,20,22)