ethyl 3-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(5-azanylidene-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanylmethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(5-imino-1-thia-3-aza-4-azanidacyclopent-2-en-2-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C14H11FN3O2S3- MolecularWeight: 368.449443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=N[N-]C(=N)S3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=N[N-]C(=N)S3

InChI

InChI=1S/C14H11FN3O2S3/c1-2-20-12(19)11-7(6-21-14-18-17-13(16)23-14)10-8(15)4-3-5-9(10)22-11/h3-5H,2,6H2,1H3,(H-,16,17)/q-1