3-[5-methyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[5-methyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[5-methyl-2-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[5-methyl-2-[3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[5-methyl-2-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[5-methyl-2-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=[N+]2CCCS(=O)(=O)[O-])C=CC=C3C(C4=CC=CC=C4N3C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=[N+]2CCCS(=O)(=O)[O-])C=CC=C3C(C4=CC=CC=C4N3C)(C)C

InChI

InChI=1S/C25H28N2O3S2/c1-18-13-14-22-21(17-18)27(15-8-16-32(28,29)30)24(31-22)12-7-11-23-25(2,3)19-9-5-6-10-20(19)26(23)4/h5-7,9-14,17H,8,15-16H2,1-4H3