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

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3,4-dimethoxyphenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3,4-dimethoxyphenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3,4-dimethoxyphenyl)methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3,4-dimethoxyphenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3,4-dimethoxyphenyl)methanone Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-21-15-9-8-13(12-16(15)22-2)18(20)19-10-5-11-23-17-7-4-3-6-14(17)19/h3-4,6-9,12H,5,10-11H2,1-2H3