ethyl 2-(4-phenylsulfanylbutanoylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(4-phenylsulfanylbutanoylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-phenylsulfanylbutanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-phenylsulfanylbutanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(phenylthio)butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S2/c1-2-25-19(24)14-10-11-16-17(13-14)27-20(21-16)22-18(23)9-6-12-26-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3,(H,21,22,23)