(Z)-2-[9-chloranyl-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepin-2-yl]but-2-enedioic acid

Systemtic Name: (Z)-2-[9-chloranyl-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepin-2-yl]but-2-enedioic acid Openeye Name: (Z)-2-[9-chloro-12-(4-methylpiperazin-1-yl)-11H-benzothiopheno[3,2-c][1,5]benzodiazepin-2-yl]but-2-enedioic acid CAS Name: (Z)-2-[9-chloro-12-(4-methyl-1-piperazinyl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepin-2-yl]-2-butenedioic acid IUPAC Name: (Z)-2-[9-chloro-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepin-2-yl]but-2-enedioic acid Traditional Name: (Z)-2-[9-chloro-12-(4-methylpiperazino)-11H-benzothiopheno[3,2-c][1,5]benzodiazepin-2-yl]but-2-enedioic acid Formula: C24H21ClN4O4S MolecularWeight: 496.96594

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C4=C(C=CC(=C4)C(=CC(=O)O)C(=O)O)SC3=NC5=C(N2)C=C(C=C5)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C3C4=C(C=CC(=C4)/C(=C/C(=O)O)/C(=O)O)SC3=NC5=C(N2)C=C(C=C5)Cl

InChI

InChI=1S/C24H21ClN4O4S/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)27-17-4-3-14(25)11-18(17)26-22/h2-5,10-12,26H,6-9H2,1H3,(H,30,31)(H,32,33)/b15-12-