S-[2-[(6-bromanyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(6-bromanyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(6-bromo-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(6-bromo-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(6-bromo-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(6-bromo-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-keto-ethyl] ester Formula: C17H14BrN3O2S2 MolecularWeight: 436.34596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N(CC1=CN=CC=C1)C2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

CC(=O)SCC(=O)N(CC1=CN=CC=C1)C2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3O2S2/c1-11(22)24-10-16(23)21(9-12-3-2-6-19-8-12)17-20-14-5-4-13(18)7-15(14)25-17/h2-8H,9-10H2,1H3