3-[2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3-propyl-5H-pyrano[2,3-d][1,3]thiazol-3-ium-5-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3-propyl-5H-pyrano[2,3-d][1,3]thiazol-3-ium-5-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3-propyl-5H-pyrano[2,3-d]thiazol-3-ium-5-yl]propane-1-sulfonic acid CAS Name: 3-[2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3-propyl-5H-pyrano[2,3-d]thiazol-3-ium-5-yl]-1-propanesulfonic acid IUPAC Name: 3-[2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3-propyl-5H-pyrano[2,3-d][1,3]thiazol-3-ium-5-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[(E)-2-[(Z)-3H-1,3-benzothiazol-2-ylidenemethyl]but-1-enyl]-3-propyl-5H-pyrano[2,3-d]thiazol-3-ium-5-yl]propane-1-sulfonic acid Formula: C24H29N2O4S3+ MolecularWeight: 505.69306

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(SC2=C1OC(C=C2)CCCS(=O)(=O)O)C=C(CC)C=C3NC4=CC=CC=C4S3

Isomeric SMILES

CCC[N+]1=C(SC2=C1OC(C=C2)CCCS(=O)(=O)O)/C=C(\CC)/C=C\3/NC4=CC=CC=C4S3

InChI

InChI=1S/C24H28N2O4S3/c1-3-13-26-23(16-17(4-2)15-22-25-19-9-5-6-10-20(19)31-22)32-21-12-11-18(30-24(21)26)8-7-14-33(27,28)29/h5-6,9-12,15-16,18H,3-4,7-8,13-14H2,1-2H3,(H,27,28,29)/p+1