(2R,3R)-2,3-bis(phenylcarbonyloxy)butanedioic acid; 3-[2-[4-[(5R)-3-fluoranyl-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

Systemtic Name: (2R,3R)-2,3-bis(phenylcarbonyloxy)butanedioic acid; 3-[2-[4-[(5R)-3-fluoranyl-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one Openeye Name: (2R,3R)-2,3-dibenzoyloxybutanedioic acid; 3-[2-[4-[(5R)-3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]ethyl]oxazolidin-2-one CAS Name: (2R,3R)-2,3-dibenzoyloxybutanedioic acid; 3-[2-[4-[(5R)-3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-piperazinyl]ethyl]-2-oxazolidinone IUPAC Name: (2R,3R)-2,3-dibenzoyloxybutanedioic acid; 3-[2-[4-[(5R)-3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one Traditional Name: (2R,3R)-2,3-dibenzoyloxysuccinic acid; 3-[2-[4-[(5R)-3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazino]ethyl]oxazolidin-2-one Formula: C42H42FN3O10S MolecularWeight: 799.860383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)F)C(C2)N4CCN(CC4)CCN5CCOC5=O.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)F)[C@@H](C2)N4CCN(CC4)CCN5CCOC5=O.C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C24H28FN3O2S.C18H14O8/c1-17-2-4-22-18(14-17)15-21(20-16-19(25)3-5-23(20)31-22)27-9-6-26(7-10-27)8-11-28-12-13-30-24(28)29;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h2-5,14,16,21H,6-13,15H2,1H3;1-10,13-14H,(H,19,20)(H,21,22)/t21-;13-,14-/m11/s1