4-oxidanylidene-4-[2-(4-phenyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)ethylamino]butanoate

Systemtic Name: 4-oxidanylidene-4-[2-(4-phenyl-2-phenylazanyl-1,3-thiazol-3-ium-3-yl)ethylamino]butanoate Openeye Name: 4-[2-(2-anilino-4-phenyl-thiazol-3-ium-3-yl)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(2-anilino-4-phenyl-3-thiazol-3-iumyl)ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-(2-anilino-4-phenyl-1,3-thiazol-3-ium-3-yl)ethylamino]-4-oxobutanoate Traditional Name: 4-[2-(2-anilino-4-phenyl-thiazol-3-ium-3-yl)ethylamino]-4-keto-butyrate Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=[N+]2CCNC(=O)CCC(=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=[N+]2CCNC(=O)CCC(=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c25-19(11-12-20(26)27)22-13-14-24-18(16-7-3-1-4-8-16)15-28-21(24)23-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,22,25,26,27)