2-(4-chloranyl-2-methyl-phenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(4-chloro-2-methylphenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C18H18ClNO2S MolecularWeight: 347.85902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCCSC3=CC=CC=C32

InChI

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