4-oxidanylidene-4-[[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]phenyl]amino]butanoate Openeye Name: 4-[4-[(3-allyl-4-phenyl-thiazol-3-ium-2-yl)amino]anilino]-4-oxo-butanoate CAS Name: 4-oxo-4-[4-[(4-phenyl-3-prop-2-enyl-2-thiazol-3-iumyl)amino]anilino]butanoate IUPAC Name: 4-oxo-4-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]anilino]butanoate Traditional Name: 4-[4-[(3-allyl-4-phenyl-thiazol-3-ium-2-yl)amino]anilino]-4-keto-butyrate Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=CC=C(C=C3)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C=CC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=CC=C(C=C3)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H21N3O3S/c1-2-14-25-19(16-6-4-3-5-7-16)15-29-22(25)24-18-10-8-17(9-11-18)23-20(26)12-13-21(27)28/h2-11,15H,1,12-14H2,(H2,23,26,27,28)