1-ethyl-2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-thieno[2,3-e][1,3]benzothiazol-1-ium

Systemtic Name: 1-ethyl-2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-thieno[2,3-e][1,3]benzothiazol-1-ium Openeye Name: 1-ethyl-2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-thieno[2,3-e][1,3]benzothiazol-1-ium CAS Name: 1-ethyl-2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxythieno[2,3-e][1,3]benzothiazol-1-ium IUPAC Name: 1-ethyl-2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxythieno[2,3-e][1,3]benzothiazol-1-ium Traditional Name: 1-ethyl-2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-thieno[2,3-e][1,3]benzothiazol-1-ium Formula: C27H29N2O2S3+ MolecularWeight: 509.72636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=C(C3=C2SC=C3)OC)CC)C=C4N(C5=C(S4)C=CC(=C5)OC)CC

Isomeric SMILES

CCC(=CC1=[N+](C2=C(S1)C=C(C3=C2SC=C3)OC)CC)C=C4N(C5=C(S4)C=CC(=C5)OC)CC

InChI

InChI=1S/C27H29N2O2S3/c1-6-17(13-24-28(7-2)20-15-18(30-4)9-10-22(20)33-24)14-25-29(8-3)26-23(34-25)16-21(31-5)19-11-12-32-27(19)26/h9-16H,6-8H2,1-5H3/q+1