3-(methylamino)-5-(3-oxidanylidenebutan-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 3-(methylamino)-5-(3-oxidanylidenebutan-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 3-(methylamino)-5-(1-methyl-2-oxo-propyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 3-(methylamino)-5-(3-oxobutan-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 3-(methylamino)-5-(3-oxobutan-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(2-keto-1-methyl-propyl)-3-(methylamino)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C2=CC=CC=C2SCC(C1=O)NC

Isomeric SMILES

CC(C(=O)C)N1C2=CC=CC=C2SCC(C1=O)NC

InChI

InChI=1S/C14H18N2O2S/c1-9(10(2)17)16-12-6-4-5-7-13(12)19-8-11(15-3)14(16)18/h4-7,9,11,15H,8H2,1-3H3