ethyl 2-(2-phenoxyethanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2-phenoxyethanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(2-phenoxyacetyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-phenoxyacetyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-phenoxyacetyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O4S2/c1-2-25-17(24)12-8-9-14-15(10-12)28-19(20-14)22-18(27)21-16(23)11-26-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H2,20,21,22,23,27)