[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C21H21N3O4S/c1-3-14-6-4-5-7-16(14)23-19(25)11-24(2)20(26)12-28-21(27)15-8-9-17-18(10-15)29-13-22-17/h4-10,13H,3,11-12H2,1-2H3,(H,23,25)