N-[(E)-[2-[(Z)-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)methyl]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazol-3-ium-5-ylidene]methyl]-N-phenyl-ethanamide; ethyl sulfate

Systemtic Name: N-[(E)-[2-[(Z)-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)methyl]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazol-3-ium-5-ylidene]methyl]-N-phenyl-ethanamide; ethyl sulfate Openeye Name: N-[(E)-[3-allyl-2-[(Z)-(3-ethyl-4,5-diphenyl-thiazol-2-ylidene)methyl]-4-oxo-thiazol-3-ium-5-ylidene]methyl]-N-phenyl-acetamide; ethyl sulfate CAS Name: N-[(E)-[2-[(Z)-(3-ethyl-4,5-diphenyl-2-thiazolylidene)methyl]-4-oxo-3-prop-2-enyl-5-thiazol-3-iumylidene]methyl]-N-phenylacetamide; ethyl sulfate IUPAC Name: N-[(E)-[2-[(Z)-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazol-3-ium-5-ylidene]methyl]-N-phenylacetamide; ethyl sulfate Traditional Name: N-[(E)-[3-allyl-2-[(Z)-(3-ethyl-4,5-diphenyl-4-thiazolin-2-ylidene)methyl]-4-keto-2-thiazolin-3-ium-5-ylidene]methyl]-N-phenyl-acetamide; ethyl sulfate Formula: C35H35N3O6S3 MolecularWeight: 689.8639

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=[N+](C(=O)C(=CN(C3=CC=CC=C3)C(=O)C)S2)CC=C)SC(=C1C4=CC=CC=C4)C5=CC=CC=C5.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCN1/C(=C/C2=[N+](C(=O)/C(=C\N(C3=CC=CC=C3)C(=O)C)/S2)CC=C)/SC(=C1C4=CC=CC=C4)C5=CC=CC=C5.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C33H30N3O2S2.C2H6O4S/c1-4-21-35-30(39-28(33(35)38)23-36(24(3)37)27-19-13-8-14-20-27)22-29-34(5-2)31(25-15-9-6-10-16-25)32(40-29)26-17-11-7-12-18-26;1-2-6-7(3,4)5/h4,6-20,22-23H,1,5,21H2,2-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1/b28-23+;