2-[4-[(2Z)-2-[3-[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-3-oxidanylidene-propyl]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]-5-methyl-1,3-benzothiazole-4-sulfonic acid

Systemtic Name: 2-[4-[(2Z)-2-[3-[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-3-oxidanylidene-propyl]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]-5-methyl-1,3-benzothiazole-4-sulfonic acid Openeye Name: 2-[4-[(2Z)-2-[3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxo-propyl]-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]phenyl]-5-methyl-1,3-benzothiazole-4-sulfonic acid CAS Name: 2-[4-[(2Z)-2-[3-[3-[(2,5-dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl]-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]phenyl]-5-methyl-1,3-benzothiazole-4-sulfonic acid IUPAC Name: 2-[4-[(2Z)-2-[3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]-5-methyl-1,3-benzothiazole-4-sulfonic acid Traditional Name: 2-[4-[(N'Z)-N'-[6-keto-3-(3-keto-3-succinimidooxy-propyl)cyclohexa-2,4-dien-1-ylidene]hydrazino]phenyl]-5-methyl-1,3-benzothiazole-4-sulfonic acid Formula: C27H22N4O8S2 MolecularWeight: 594.61558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NN=C4C=C(C=CC4=O)CCC(=O)ON5C(=O)CCC5=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)C3=CC=C(C=C3)N/N=C\4/C=C(C=CC4=O)CCC(=O)ON5C(=O)CCC5=O)S(=O)(=O)O

InChI

InChI=1S/C27H22N4O8S2/c1-15-2-10-21-25(26(15)41(36,37)38)28-27(40-21)17-5-7-18(8-6-17)29-30-19-14-16(3-9-20(19)32)4-13-24(35)39-31-22(33)11-12-23(31)34/h2-3,5-10,14,29H,4,11-13H2,1H3,(H,36,37,38)/b30-19-