S-[2-[4-(1,3-benzothiazol-6-ylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-(1,3-benzothiazol-6-ylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(1,3-benzothiazol-6-ylsulfonylamino)phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(1,3-benzothiazol-6-ylsulfonylamino)phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(1,3-benzothiazol-6-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(1,3-benzothiazol-6-ylsulfonylamino)phenyl]-2-keto-ethyl] ester Formula: C17H14N2O4S3 MolecularWeight: 406.49906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C17H14N2O4S3/c1-11(20)24-9-16(21)12-2-4-13(5-3-12)19-26(22,23)14-6-7-15-17(8-14)25-10-18-15/h2-8,10,19H,9H2,1H3