3-[[5-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 3-[[5-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: 3-[[5-(2-amino-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanylmethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[[5-(2-amino-2-oxoethyl)-4-methyl-2-thiazolyl]thio]methyl]-4-fluoro-1-benzothiophene-2-carboxylate IUPAC Name: 3-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[[5-(2-amino-2-keto-ethyl)-4-methyl-thiazol-2-yl]thio]methyl]-4-fluoro-benzothiophene-2-carboxylate Formula: C16H12FN2O3S3- MolecularWeight: 395.471483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=C(SC3=CC=CC(=C32)F)C(=O)[O-])CC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)SCC2=C(SC3=CC=CC(=C32)F)C(=O)[O-])CC(=O)N

InChI

InChI=1S/C16H13FN2O3S3/c1-7-11(5-12(18)20)25-16(19-7)23-6-8-13-9(17)3-2-4-10(13)24-14(8)15(21)22/h2-4H,5-6H2,1H3,(H2,18,20)(H,21,22)/p-1