methyl 3-oxidanylidene-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,5-benzoxathiepine-4-carboxylate hydrochloride

Systemtic Name: methyl 3-oxidanylidene-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,5-benzoxathiepine-4-carboxylate hydrochloride Openeye Name: methyl 3-oxo-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,5-benzoxathiepine-4-carboxylate hydrochloride CAS Name: 3-oxo-2-[3-(4-phenyl-1-piperazinyl)propyl]-1,5-benzoxathiepin-4-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 3-oxo-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,5-benzoxathiepine-4-carboxylate hydrochloride Traditional Name: 3-keto-2-[3-(4-phenylpiperazino)propyl]-1,5-benzoxathiepin-4-carboxylic acid methyl ester hydrochloride Formula: C24H29ClN2O4S MolecularWeight: 477.01606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)C(OC2=CC=CC=C2S1)CCCN3CCN(CC3)C4=CC=CC=C4.Cl

Isomeric SMILES

COC(=O)C1C(=O)C(OC2=CC=CC=C2S1)CCCN3CCN(CC3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C24H28N2O4S.ClH/c1-29-24(28)23-22(27)20(30-19-10-5-6-12-21(19)31-23)11-7-13-25-14-16-26(17-15-25)18-8-3-2-4-9-18;/h2-6,8-10,12,20,23H,7,11,13-17H2,1H3;1H