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

Systemtic Name: methyl 2-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate hydrochloride Openeye Name: methyl 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate hydrochloride CAS Name: 2-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate hydrochloride Traditional Name: 2-[3-keto-3-(4-phenylpiperazino)propyl]-3,4-dihydro-2H-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)C1CC(OC2=CC=CC=C2S1)CCC(=O)N3CCN(CC3)C4=CC=CC=C4.Cl

Isomeric SMILES

COC(=O)C1CC(OC2=CC=CC=C2S1)CCC(=O)N3CCN(CC3)C4=CC=CC=C4.Cl

InChI

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