methyl 7-(1,3-benzothiazol-6-ylcarbonylamino)heptanoate

Systemtic Name: methyl 7-(1,3-benzothiazol-6-ylcarbonylamino)heptanoate Openeye Name: methyl 7-(1,3-benzothiazole-6-carbonylamino)heptanoate CAS Name: 7-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-(1,3-benzothiazole-6-carbonylamino)heptanoate Traditional Name: 7-(1,3-benzothiazole-6-carbonylamino)enanthic acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CC2=C(C=C1)N=CS2

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C16H20N2O3S/c1-21-15(19)6-4-2-3-5-9-17-16(20)12-7-8-13-14(10-12)22-11-18-13/h7-8,10-11H,2-6,9H2,1H3,(H,17,20)