4-[[6-methoxycarbonyl-4-oxidanylidene-3-(phenylmethyl)-1,3-thiazin-2-ylidene]amino]benzoic acid

Systemtic Name: 4-[[6-methoxycarbonyl-4-oxidanylidene-3-(phenylmethyl)-1,3-thiazin-2-ylidene]amino]benzoic acid Openeye Name: 4-[(3-benzyl-6-methoxycarbonyl-4-oxo-1,3-thiazin-2-ylidene)amino]benzoic acid CAS Name: 4-[[6-methoxycarbonyl-4-oxo-3-(phenylmethyl)-1,3-thiazin-2-ylidene]amino]benzoic acid IUPAC Name: 4-[(3-benzyl-6-methoxycarbonyl-4-oxo-1,3-thiazin-2-ylidene)amino]benzoic acid Traditional Name: 4-[(3-benzyl-6-carbomethoxy-4-keto-1,3-thiazin-2-ylidene)amino]benzoic acid Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(C(=NC2=CC=C(C=C2)C(=O)O)S1)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=O)N(C(=NC2=CC=C(C=C2)C(=O)O)S1)CC3=CC=CC=C3

InChI

InChI=1S/C20H16N2O5S/c1-27-19(26)16-11-17(23)22(12-13-5-3-2-4-6-13)20(28-16)21-15-9-7-14(8-10-15)18(24)25/h2-11H,12H2,1H3,(H,24,25)