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

Systemtic Name: methyl 3-acetyloxy-7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Openeye Name: methyl 3-acetoxy-7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-acetyloxy-7-methoxy-4-[3-(4-phenyl-1-piperazinyl)propyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 3-acetyloxy-7-methoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-acetoxy-7-methoxy-4-[3-(4-phenylpiperazino)propyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester Formula: C27H34N2O6S MolecularWeight: 514.63366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC2=C(C=C(C=C2)OC)SC1(CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(=O)OC1COC2=C(C=C(C=C2)OC)SC1(CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H34N2O6S/c1-20(30)35-25-19-34-23-11-10-22(32-2)18-24(23)36-27(25,26(31)33-3)12-7-13-28-14-16-29(17-15-28)21-8-5-4-6-9-21/h4-6,8-11,18,25H,7,12-17,19H2,1-3H3