2-(4-chlorophenyl)-2-[7-iodanyl-2,5-bis(oxidanylidene)-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid

Systemtic Name: 2-(4-chlorophenyl)-2-[7-iodanyl-2,5-bis(oxidanylidene)-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid CAS Name: 2-(4-chlorophenyl)-2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethylthio)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid IUPAC Name: 2-(4-chlorophenyl)-2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid Traditional Name: 2-(4-chlorophenyl)-2-[7-iodo-2,5-diketo-3-[4-(trifluoromethylthio)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid Formula: C24H15ClF3IN2O4S MolecularWeight: 646.80458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(=O)NC3=C(C=C(C=C3)I)C(=O)N2C(C4=CC=C(C=C4)Cl)C(=O)O)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2C(=O)NC3=C(C=C(C=C3)I)C(=O)N2C(C4=CC=C(C=C4)Cl)C(=O)O)SC(F)(F)F

InChI

InChI=1S/C24H15ClF3IN2O4S/c25-14-5-1-13(2-6-14)20(23(34)35)31-19(12-3-8-16(9-4-12)36-24(26,27)28)21(32)30-18-10-7-15(29)11-17(18)22(31)33/h1-11,19-20H,(H,30,32)(H,34,35)