(6S,6aS,9R)-6-naphthalen-1-yl-9-(3,4,5-trimethoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one

Systemtic Name: (6S,6aS,9R)-6-naphthalen-1-yl-9-(3,4,5-trimethoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Openeye Name: (6S,6aS,9R)-6-(1-naphthyl)-9-(3,4,5-trimethoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one CAS Name: (6S,6aS,9R)-6-(1-naphthalenyl)-9-(3,4,5-trimethoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one IUPAC Name: (6S,6aS,9R)-6-naphthalen-1-yl-9-(3,4,5-trimethoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Traditional Name: (6S,6aS,9R)-6-(1-naphthyl)-9-(3,4,5-trimethoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one Formula: C32H29NO4S MolecularWeight: 523.64196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CC(=O)C3C(SC4=CC=CC=C4NC3=C2)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H]2CC(=O)[C@H]3[C@H](SC4=CC=CC=C4NC3=C2)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C32H29NO4S/c1-35-27-17-21(18-28(36-2)31(27)37-3)20-15-25-30(26(34)16-20)32(38-29-14-7-6-13-24(29)33-25)23-12-8-10-19-9-4-5-11-22(19)23/h4-15,17-18,20,30,32-33H,16H2,1-3H3/t20-,30-,32+/m0/s1