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

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 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 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 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 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 Formula: C26H28N3O3S2+ MolecularWeight: 494.64882

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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

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

InChI

InChI=1S/C26H27N3O3S2/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/h4-6,8,10-12,14-16,18H,3,7,9,13,17H2,1-2H3/p+1/b22-14-,23-15-