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2-[7-fluoranyl-5-(2-fluorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]-2-methyl-propanoic acid

2-[7-fluoranyl-5-(2-fluorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]-2-methyl-propanoic acid

Systemtic Name:2-[7-fluoranyl-5-(2-fluorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]-2-methyl-propanoic acid
Openeye Name:2-[7-fluoro-5-(2-fluorophenyl)-2-thioxo-3H-1,4-benzodiazepin-1-yl]-2-methyl-propanoic acid
CAS Name:2-[7-fluoro-5-(2-fluorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]-2-methylpropanoic acid
IUPAC Name:2-[7-fluoro-5-(2-fluorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]-2-methylpropanoic acid
Traditional Name:2-[7-fluoro-5-(2-fluorophenyl)-2-thioxo-3H-1,4-benzodiazepin-1-yl]-2-methyl-propionic acid
Formula: C19H16F2N2O2S
MolecularWeight: 374.404346
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)N1C(=S)CN=C(C2=C1C=CC(=C2)F)C3=CC=CC=C3F


Isomeric SMILES

CC(C)(C(=O)O)N1C(=S)CN=C(C2=C1C=CC(=C2)F)C3=CC=CC=C3F


InChI

InChI=1S/C19H16F2N2O2S/c1-19(2,18(24)25)23-15-8-7-11(20)9-13(15)17(22-10-16(23)26)12-5-3-4-6-14(12)21/h3-9H,10H2,1-2H3,(H,24,25)


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