3-[[2-(4-methoxyphenyl)imino-4-oxidanylidene-3-(phenylmethyl)-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-(4-methoxyphenyl)imino-4-oxidanylidene-3-(phenylmethyl)-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-benzyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(4-methoxyphenyl)imino-4-oxo-3-(phenylmethyl)-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-benzyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-benzyl-4-keto-2-(4-methoxyphenyl)imino-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC(=C3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O5S/c1-34-21-12-10-19(11-13-21)28-26-29(16-17-6-3-2-4-7-17)23(30)15-22(35-26)24(31)27-20-9-5-8-18(14-20)25(32)33/h2-14,22H,15-16H2,1H3,(H,27,31)(H,32,33)