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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(C(S2)(CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC)OC(=O)NC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(C(S2)(CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC)OC(=O)NC5=CC=CC=C5

InChI

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