[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1,3-benzothiazole-6-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H18N6O2S/c1-2-12-5-3-4-6-14(12)23-20-25-17(24-19(21)26-20)10-28-18(27)13-7-8-15-16(9-13)29-11-22-15/h3-9,11H,2,10H2,1H3,(H3,21,23,24,25,26)