2-methyl-3-oxidanyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid

Systemtic Name: 2-methyl-3-oxidanyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid Openeye Name: 3-hydroxy-2-methyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid CAS Name: 3-hydroxy-2-methyl-4-[3-(4-phenyl-1-piperazinyl)propyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid IUPAC Name: 3-hydroxy-2-methyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid Traditional Name: 3-hydroxy-2-methyl-4-[3-(4-phenylpiperazino)propyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(SC2=CC=CC=C2O1)(CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)O)O

Isomeric SMILES

CC1C(C(SC2=CC=CC=C2O1)(CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)O)O

InChI

InChI=1S/C24H30N2O4S/c1-18-22(27)24(23(28)29,31-21-11-6-5-10-20(21)30-18)12-7-13-25-14-16-26(17-15-25)19-8-3-2-4-9-19/h2-6,8-11,18,22,27H,7,12-17H2,1H3,(H,28,29)