methyl 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbothioylamino)hexanoate

Systemtic Name: methyl 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbothioylamino)hexanoate Openeye Name: methyl 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioylamino)hexanoate CAS Name: 6-[[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(sulfanylidene)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioylamino)hexanoate Traditional Name: 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioylamino)hexanoic acid methyl ester Formula: C17H24N2O2S2 MolecularWeight: 352.51466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCCSC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCCSC2=CC=CC=C21

InChI

InChI=1S/C17H24N2O2S2/c1-21-16(20)10-3-2-6-11-18-17(22)19-12-7-13-23-15-9-5-4-8-14(15)19/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,18,22)