S-[2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[benzyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[benzyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[benzyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C18H15FN2O2S2 MolecularWeight: 374.452303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N(CC1=CC=CC=C1)C2=NC3=C(C=CC=C3S2)F

Isomeric SMILES

CC(=O)SCC(=O)N(CC1=CC=CC=C1)C2=NC3=C(C=CC=C3S2)F

InChI

InChI=1S/C18H15FN2O2S2/c1-12(22)24-11-16(23)21(10-13-6-3-2-4-7-13)18-20-17-14(19)8-5-9-15(17)25-18/h2-9H,10-11H2,1H3