3-[(2E)-2-[(2E)-2-[(2Z)-2-[(E)-3-(3-butyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-5-oxidanylidene-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2E)-2-[(2E)-2-[(2Z)-2-[(E)-3-(3-butyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-5-oxidanylidene-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2E)-2-[(2E)-2-[(2Z)-2-[(E)-3-(3-butyl-4,5-dihydrothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-5-oxo-oxazolidin-4-ylidene]ethylidene]thiazolidin-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2E)-2-[(2E)-2-[(2Z)-2-[(E)-3-(3-butyl-4,5-dihydrothiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-5-oxo-4-oxazolidinylidene]ethylidene]-3-thiazolidinyl]-1-propanesulfonic acid IUPAC Name: 3-[(2E)-2-[(2E)-2-[(2Z)-2-[(E)-3-(3-butyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-3-methyl-5-oxo-1,3-oxazolidin-4-ylidene]ethylidene]-1,3-thiazolidin-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2E)-2-[(2E)-2-[(2Z)-2-[(E)-3-(3-butyl-2-thiazolin-3-ium-2-yl)prop-2-enylidene]-5-keto-3-methyl-oxazolidin-4-ylidene]ethylidene]thiazolidin-3-yl]propane-1-sulfonic acid Formula: C22H32N3O5S3+ MolecularWeight: 514.70158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(SCC1)C=CC=C2N(C(=CC=C3N(CCS3)CCCS(=O)(=O)O)C(=O)O2)C

Isomeric SMILES

CCCC[N+]1=C(SCC1)/C=C/C=C\2/N(/C(=C/C=C/3\N(CCS3)CCCS(=O)(=O)O)/C(=O)O2)C

InChI

InChI=1S/C22H31N3O5S3/c1-3-4-11-24-13-15-31-20(24)8-5-7-19-23(2)18(22(26)30-19)9-10-21-25(14-16-32-21)12-6-17-33(27,28)29/h5,7-10H,3-4,6,11-17H2,1-2H3/p+1/b18-9+,21-10+