2-(3-chloranylphenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one

Systemtic Name: 2-(3-chloranylphenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Formula: C18H18ClNO2S MolecularWeight: 347.85902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCSC2=CC=CC=C21)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCCSC2=CC=CC=C21)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClNO2S/c1-13(22-15-7-4-6-14(19)12-15)18(21)20-10-5-11-23-17-9-3-2-8-16(17)20/h2-4,6-9,12-13H,5,10-11H2,1H3