4-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one Openeye Name: 4-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-propyl]-1,4-benzothiazin-3-one CAS Name: 4-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]-1,4-benzothiazin-3-one Traditional Name: 4-[3-keto-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propyl]-1,4-benzothiazin-3-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O2S2/c1-15-10-12-22(17-7-3-5-9-19(17)27-15)20(24)11-13-23-16-6-2-4-8-18(16)26-14-21(23)25/h2-9,15H,10-14H2,1H3