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

Systemtic Name: ethyl 3-[[5-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 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-carboxylic acid ethyl ester IUPAC Name: ethyl 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-carboxylic acid ethyl ester Formula: C18H17FN2O3S3 MolecularWeight: 424.532583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC(=C(S3)CC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC(=C(S3)CC(=O)N)C

InChI

InChI=1S/C18H17FN2O3S3/c1-3-24-17(23)16-10(15-11(19)5-4-6-12(15)26-16)8-25-18-21-9(2)13(27-18)7-14(20)22/h4-6H,3,7-8H2,1-2H3,(H2,20,22)