7-bromanyl-3,3-dibutyl-5-(4-chlorophenyl)-8-methoxy-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-bromanyl-3,3-dibutyl-5-(4-chlorophenyl)-8-methoxy-2H-1,5-benzothiazepin-4-one Openeye Name: 7-bromo-3,3-dibutyl-5-(4-chlorophenyl)-8-methoxy-2H-1,5-benzothiazepin-4-one CAS Name: 7-bromo-3,3-dibutyl-5-(4-chlorophenyl)-8-methoxy-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-bromo-3,3-dibutyl-5-(4-chlorophenyl)-8-methoxy-2H-1,5-benzothiazepin-4-one Traditional Name: 7-bromo-3,3-dibutyl-5-(4-chlorophenyl)-8-methoxy-2H-1,5-benzothiazepin-4-one Formula: C24H29BrClNO2S MolecularWeight: 510.91456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CSC2=CC(=C(C=C2N(C1=O)C3=CC=C(C=C3)Cl)Br)OC)CCCC

Isomeric SMILES

CCCCC1(CSC2=CC(=C(C=C2N(C1=O)C3=CC=C(C=C3)Cl)Br)OC)CCCC

InChI

InChI=1S/C24H29BrClNO2S/c1-4-6-12-24(13-7-5-2)16-30-22-15-21(29-3)19(25)14-20(22)27(23(24)28)18-10-8-17(26)9-11-18/h8-11,14-15H,4-7,12-13,16H2,1-3H3