methyl 6-(2,3-dihydro-1,4-benzothiazin-4-ylcarbothioylamino)hexanoate

Systemtic Name: methyl 6-(2,3-dihydro-1,4-benzothiazin-4-ylcarbothioylamino)hexanoate Openeye Name: methyl 6-(2,3-dihydro-1,4-benzothiazine-4-carbothioylamino)hexanoate CAS Name: 6-[[2,3-dihydro-1,4-benzothiazin-4-yl(sulfanylidene)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(2,3-dihydro-1,4-benzothiazine-4-carbothioylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzothiazine-4-carbothioylamino)hexanoic acid methyl ester Formula: C16H22N2O2S2 MolecularWeight: 338.48808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCSC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCSC2=CC=CC=C21

InChI

InChI=1S/C16H22N2O2S2/c1-20-15(19)9-3-2-6-10-17-16(21)18-11-12-22-14-8-5-4-7-13(14)18/h4-5,7-8H,2-3,6,9-12H2,1H3,(H,17,21)