3-(4-phenylpiperazin-1-yl)propyl 7-methoxy-2-methyl-3-(phenylcarbamoyloxy)-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: 3-(4-phenylpiperazin-1-yl)propyl 7-methoxy-2-methyl-3-(phenylcarbamoyloxy)-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Openeye Name: 3-(4-phenylpiperazin-1-yl)propyl 7-methoxy-2-methyl-3-(phenylcarbamoyloxy)-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-[anilino(oxo)methoxy]-7-methoxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-(4-phenyl-1-piperazinyl)propyl ester IUPAC Name: 3-(4-phenylpiperazin-1-yl)propyl 7-methoxy-2-methyl-3-(phenylcarbamoyloxy)-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Traditional Name: 7-methoxy-2-methyl-3-(phenylcarbamoyloxy)-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-(4-phenylpiperazino)propyl ester Formula: C32H37N3O6S MolecularWeight: 591.71768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4)OC(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1C(C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4)OC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C32H37N3O6S/c1-23-29(41-32(37)33-24-10-5-3-6-11-24)30(42-28-22-26(38-2)14-15-27(28)40-23)31(36)39-21-9-16-34-17-19-35(20-18-34)25-12-7-4-8-13-25/h3-8,10-15,22-23,29-30H,9,16-21H2,1-2H3,(H,33,37)