[4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C20H18N6O4S MolecularWeight: 438.45972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C20H18N6O4S/c1-29-14-5-3-2-4-12(14)23-20-25-16(24-19(21)26-20)9-30-18(28)11-6-7-15-13(8-11)22-17(27)10-31-15/h2-8H,9-10H2,1H3,(H,22,27)(H3,21,23,24,25,26)