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

Systemtic Name: 2-[7-iodanyl-3-(3-methyl-1-benzothiophen-2-yl)-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[7-iodo-3-(3-methylbenzothiophen-2-yl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[7-iodo-3-(3-methyl-1-benzothiophen-2-yl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-[7-iodo-3-(3-methyl-1-benzothiophen-2-yl)-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid Traditional Name: 2-[7-iodo-2,5-diketo-3-(3-methylbenzothiophen-2-yl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C26H19IN2O4S MolecularWeight: 582.40953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C3C(=O)NC4=C(C=C(C=C4)I)C(=O)N3C(C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C3C(=O)NC4=C(C=C(C=C4)I)C(=O)N3C(C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H19IN2O4S/c1-14-17-9-5-6-10-20(17)34-23(14)22-24(30)28-19-12-11-16(27)13-18(19)25(31)29(22)21(26(32)33)15-7-3-2-4-8-15/h2-13,21-22H,1H3,(H,28,30)(H,32,33)