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

Systemtic Name: 4-[(6-methoxycarbonyl-4-oxidanylidene-3-phenethyl-1,3-thiazin-2-ylidene)amino]benzoic acid Openeye Name: 4-[(6-methoxycarbonyl-4-oxo-3-phenethyl-1,3-thiazin-2-ylidene)amino]benzoic acid CAS Name: 4-[(6-methoxycarbonyl-4-oxo-3-phenethyl-1,3-thiazin-2-ylidene)amino]benzoic acid IUPAC Name: 4-[(6-methoxycarbonyl-4-oxo-3-phenethyl-1,3-thiazin-2-ylidene)amino]benzoic acid Traditional Name: 4-[(6-carbomethoxy-4-keto-3-phenethyl-1,3-thiazin-2-ylidene)amino]benzoic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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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)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=O)N(C(=NC2=CC=C(C=C2)C(=O)O)S1)CCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O5S/c1-28-20(27)17-13-18(24)23(12-11-14-5-3-2-4-6-14)21(29-17)22-16-9-7-15(8-10-16)19(25)26/h2-10,13H,11-12H2,1H3,(H,25,26)