butyl 2-(2-phenylsulfanylethanoylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(2-phenylsulfanylethanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(2-phenylsulfanylacetyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-(phenylthio)ethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2-phenylsulfanylacetyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(phenylthio)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S2/c1-2-3-11-25-19(24)14-9-10-16-17(12-14)27-20(21-16)22-18(23)13-26-15-7-5-4-6-8-15/h4-10,12H,2-3,11,13H2,1H3,(H,21,22,23)