1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(3,4-dimethoxyphenyl)ethanone Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCSC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCCSC3=CC=CC=C32)OC

InChI

InChI=1S/C19H21NO3S/c1-22-16-9-8-14(12-17(16)23-2)13-19(21)20-10-5-11-24-18-7-4-3-6-15(18)20/h3-4,6-9,12H,5,10-11,13H2,1-2H3