6-(3-methoxy-4-phenylmethoxy-phenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one

Systemtic Name: 6-(3-methoxy-4-phenylmethoxy-phenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Openeye Name: 6-(4-benzyloxy-3-methoxy-phenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one CAS Name: 6-(3-methoxy-4-phenylmethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one IUPAC Name: 6-(3-methoxy-4-phenylmethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Traditional Name: 6-(4-benzoxy-3-methoxy-phenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC4=CC=CC=C4S2)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC4=CC=CC=C4S2)OCC5=CC=CC=C5

InChI

InChI=1S/C27H25NO3S/c1-30-24-16-19(14-15-23(24)31-17-18-8-3-2-4-9-18)27-26-21(11-7-12-22(26)29)28-20-10-5-6-13-25(20)32-27/h2-6,8-10,13-16,27-28H,7,11-12,17H2,1H3