2-[(E,3Z)-3-(6-carboxy-3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium-6-carboxylate

Systemtic Name: 2-[(E,3Z)-3-(6-carboxy-3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium-6-carboxylate Openeye Name: 2-[(E,3Z)-3-(6-carboxy-3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium-6-carboxylate CAS Name: 2-[(E,3Z)-3-(6-carboxy-3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium-6-carboxylate IUPAC Name: 2-[(E,3Z)-3-(6-carboxy-3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium-6-carboxylate Traditional Name: 2-[(E,3Z)-3-(6-carboxy-3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium-6-carboxylate Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)SC1=CC=CC3=[N+](C4=C(S3)C=C(C=C4)C(=O)[O-])CC

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)C(=O)O)S/C1=C\C=C\C3=[N+](C4=C(S3)C=C(C=C4)C(=O)[O-])CC

InChI

InChI=1S/C23H20N2O4S2/c1-3-24-16-10-8-14(22(26)27)12-18(16)30-20(24)6-5-7-21-25(4-2)17-11-9-15(23(28)29)13-19(17)31-21/h5-13H,3-4H2,1-2H3,(H-,26,27,28,29)