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

Systemtic Name: methyl 7-methoxy-3-oxidanyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Openeye Name: methyl 3-hydroxy-7-methoxy-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-hydroxy-7-methoxy-4-[2-(4-phenyl-1-piperazinyl)ethyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-7-methoxy-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-hydroxy-7-methoxy-4-[2-(4-phenylpiperazino)ethyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(C(S2)(CCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC)O

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(C(S2)(CCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC)O

InChI

InChI=1S/C24H30N2O5S/c1-29-19-8-9-20-21(16-19)32-24(23(28)30-2,22(27)17-31-20)10-11-25-12-14-26(15-13-25)18-6-4-3-5-7-18/h3-9,16,22,27H,10-15,17H2,1-2H3