methyl 7-methoxy-3-oxidanylidene-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: methyl 7-methoxy-3-oxidanylidene-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,5-benzoxathiepine-4-carboxylate Openeye Name: methyl 7-methoxy-3-oxo-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,5-benzoxathiepine-4-carboxylate CAS Name: 7-methoxy-3-oxo-4-[4-(4-phenyl-1-piperazinyl)butyl]-1,5-benzoxathiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-3-oxo-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-keto-7-methoxy-4-[4-(4-phenylpiperazino)butyl]-1,5-benzoxathiepin-4-carboxylic acid methyl ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=O)C(S2)(CCCCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=O)C(S2)(CCCCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H32N2O5S/c1-31-21-10-11-22-23(18-21)34-26(25(30)32-2,24(29)19-33-22)12-6-7-13-27-14-16-28(17-15-27)20-8-4-3-5-9-20/h3-5,8-11,18H,6-7,12-17,19H2,1-2H3