5-[2-[(Z)-[(5Z)-3-ethyl-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]methyl]pyridin-1-ium-1-yl]pentanoic acid; 4-methylbenzenesulfonate

Systemtic Name: 5-[2-[(Z)-[(5Z)-3-ethyl-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]methyl]pyridin-1-ium-1-yl]pentanoic acid; 4-methylbenzenesulfonate Openeye Name: 5-[2-[(Z)-[(5Z)-3-ethyl-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-thiazolidin-2-ylidene]methyl]pyridin-1-ium-1-yl]pentanoic acid; 4-methylbenzenesulfonate CAS Name: 5-[2-[(Z)-[(5Z)-3-ethyl-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-1-pyridin-1-iumyl]pentanoic acid; 4-methylbenzenesulfonate IUPAC Name: 5-[2-[(Z)-[(5Z)-3-ethyl-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]methyl]pyridin-1-ium-1-yl]pentanoic acid; 4-methylbenzenesulfonate Traditional Name: 5-[2-[(Z)-[(5Z)-3-ethyl-4-keto-5-[(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]thiazolidin-2-ylidene]methyl]pyridin-1-ium-1-yl]valeric acid tosylate Formula: C33H35N3O6S3 MolecularWeight: 665.8425

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=CC=CC=[N+]2CCCCC(=O)O)SC(=CC=C3N(C4=CC=CC=C4S3)C)C1=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1/C(=C/C2=CC=CC=[N+]2CCCCC(=O)O)/S/C(=C\C=C/3\N(C4=CC=CC=C4S3)C)/C1=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C26H27N3O3S2.C7H8O3S/c1-3-29-24(18-19-10-6-8-16-28(19)17-9-7-13-25(30)31)34-22(26(29)32)14-15-23-27(2)20-11-4-5-12-21(20)33-23;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,8,10-12,14-16,18H,3,7,9,13,17H2,1-2H3;2-5H,1H3,(H,8,9,10)/b22-14-,23-15-;