(5E)-2-[(E)-[3-(2,2-diethoxy-2-methoxy-ethyl)benzo[g][1,3]benzothiazol-2-ylidene]methyl]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one

Systemtic Name: (5E)-2-[(E)-[3-(2,2-diethoxy-2-methoxy-ethyl)benzo[g][1,3]benzothiazol-2-ylidene]methyl]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one Openeye Name: (5E)-2-[(E)-[3-(2,2-diethoxy-2-methoxy-ethyl)benzo[g][1,3]benzothiazol-2-ylidene]methyl]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)thiazol-3-ium-4-one CAS Name: (5E)-2-[(E)-[3-(2,2-diethoxy-2-methoxyethyl)-2-benzo[g][1,3]benzothiazolylidene]methyl]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-thiazol-3-iumone IUPAC Name: (5E)-2-[(E)-[3-(2,2-diethoxy-2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]methyl]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one Traditional Name: (5E)-2-[(E)-[3-(2,2-diethoxy-2-methoxy-ethyl)benzo[g][1,3]benzothiazol-2-ylidene]methyl]-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-thiazolin-3-ium-4-one Formula: C32H34N3O4S3+ MolecularWeight: 620.82506

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=C2N(C3=CC=CC=C3S2)C)C1=O)C=C4N(C5=C(S4)C6=CC=CC=C6C=C5)CC(OC)(OCC)OCC

Isomeric SMILES

CC[N+]1=C(S/C(=C/2\N(C3=CC=CC=C3S2)C)/C1=O)/C=C/4\N(C5=C(S4)C6=CC=CC=C6C=C5)CC(OC)(OCC)OCC

InChI

InChI=1S/C32H34N3O4S3/c1-6-34-26(42-29(30(34)36)31-33(4)23-15-11-12-16-25(23)40-31)19-27-35(20-32(37-5,38-7-2)39-8-3)24-18-17-21-13-9-10-14-22(21)28(24)41-27/h9-19H,6-8,20H2,1-5H3/q+1/b31-29+