2-[(E,3Z)-3-(5,6-dimethyl-3H-1,3-benzothiazol-2-ylidene)-2-methyl-prop-1-enyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium

Systemtic Name: 2-[(E,3Z)-3-(5,6-dimethyl-3H-1,3-benzothiazol-2-ylidene)-2-methyl-prop-1-enyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium Openeye Name: 2-[(E,3Z)-3-(5,6-dimethyl-3H-1,3-benzothiazol-2-ylidene)-2-methyl-prop-1-enyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium CAS Name: 2-[(E,3Z)-3-(5,6-dimethyl-3H-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium IUPAC Name: 2-[(E,3Z)-3-(5,6-dimethyl-3H-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium Traditional Name: 2-[(E,3Z)-3-(5,6-dimethyl-3H-1,3-benzothiazol-2-ylidene)-2-methyl-prop-1-enyl]-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium Formula: C28H27N2OS+ MolecularWeight: 439.59178

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)C=C(C)C=C4NC5=C(S4)C=C(C(=C5)C)C

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)/C=C(\C)/C=C\4/NC5=C(S4)C=C(C(=C5)C)C

InChI

InChI=1S/C28H26N2OS/c1-5-30-24-17-22(21-9-7-6-8-10-21)11-12-25(24)31-28(30)14-18(2)13-27-29-23-15-19(3)20(4)16-26(23)32-27/h6-17H,5H2,1-4H3/p+1