methyl 4-[4-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]butanoate

Systemtic Name: methyl 4-[4-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]butanoate Openeye Name: methyl 4-[2-anilino-5-(2-anilino-2-oxo-ethyl)-4-oxo-thiazol-3-ium-3-yl]butanoate CAS Name: 4-[2-anilino-5-(2-anilino-2-oxoethyl)-4-oxo-3-thiazol-3-iumyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-anilino-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazol-3-ium-3-yl]butanoate Traditional Name: 4-[2-anilino-5-(2-anilino-2-keto-ethyl)-4-keto-2-thiazolin-3-ium-3-yl]butyric acid methyl ester Formula: C22H24N3O4S+ MolecularWeight: 426.50866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC[N+]1=C(SC(C1=O)CC(=O)NC2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC[N+]1=C(SC(C1=O)CC(=O)NC2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-29-20(27)13-8-14-25-21(28)18(15-19(26)23-16-9-4-2-5-10-16)30-22(25)24-17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3,(H,23,26)/p+1