1,4-bis(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)butane-1,4-dione

Systemtic Name: 1,4-bis(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)butane-1,4-dione Openeye Name: 1,4-bis(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)butane-1,4-dione CAS Name: 1,4-bis(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)butane-1,4-dione IUPAC Name: 1,4-bis(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)butane-1,4-dione Traditional Name: 1,4-bis(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)butane-1,4-dione Formula: C24H28N2O4S2 MolecularWeight: 472.62012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCC(=O)N3CCSC4=C(C3)C=C(C=C4)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCC(=O)N3CCSC4=C(C3)C=C(C=C4)OC

InChI

InChI=1S/C24H28N2O4S2/c1-29-19-3-5-21-17(13-19)15-25(9-11-31-21)23(27)7-8-24(28)26-10-12-32-22-6-4-20(30-2)14-18(22)16-26/h3-6,13-14H,7-12,15-16H2,1-2H3