ethyl (2E)-2-[(E)-3-(6-ethoxycarbonyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl (2E)-2-[(E)-3-(6-ethoxycarbonyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2E)-2-[(E)-3-(6-ethoxycarbonyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: (2E)-2-[(E)-3-(6-ethoxycarbonyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(E)-3-(6-ethoxycarbonyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: (2E)-2-[(E)-3-(6-carbethoxy-3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C27H29N2O4S2+ MolecularWeight: 509.66016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N2O4S2/c1-5-28-20-14-12-18(26(30)32-7-3)16-22(20)34-24(28)10-9-11-25-29(6-2)21-15-13-19(17-23(21)35-25)27(31)33-8-4/h9-17H,5-8H2,1-4H3/q+1