methyl 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-4-fluoro-benzoate CAS Name: 3-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-4-fluorobenzoate Traditional Name: 3-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C18H15FN2O3S2 MolecularWeight: 390.451703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15FN2O3S2/c1-24-18(23)11-6-7-12(19)14(8-11)20-16(22)9-25-10-17-21-13-4-2-3-5-15(13)26-17/h2-8H,9-10H2,1H3,(H,20,22)