(Z)-2-[8-fluoranyl-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepin-2-yl]but-2-enedioic acid

Systemtic Name: (Z)-2-[8-fluoranyl-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepin-2-yl]but-2-enedioic acid Openeye Name: (Z)-2-[8-fluoro-12-(4-methylpiperazin-1-yl)-6H-benzothiopheno[2,3-b][1,5]benzodiazepin-2-yl]but-2-enedioic acid CAS Name: (Z)-2-[8-fluoro-12-(4-methyl-1-piperazinyl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepin-2-yl]-2-butenedioic acid IUPAC Name: (Z)-2-[8-fluoro-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepin-2-yl]but-2-enedioic acid Traditional Name: (Z)-2-[8-fluoro-12-(4-methylpiperazino)-6H-benzothiopheno[2,3-b][1,5]benzodiazepin-2-yl]but-2-enedioic acid Formula: C24H21FN4O4S MolecularWeight: 480.511343

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)F)NC4=C2C5=C(S4)C=CC(=C5)C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)F)NC4=C2C5=C(S4)C=CC(=C5)/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C24H21FN4O4S/c1-28-6-8-29(9-7-28)22-21-16-10-13(15(24(32)33)12-20(30)31)2-5-19(16)34-23(21)27-18-11-14(25)3-4-17(18)26-22/h2-5,10-12,27H,6-9H2,1H3,(H,30,31)(H,32,33)/b15-12-