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

Systemtic Name: 2-[7-iodanyl-2,5-bis(oxidanylidene)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[7-iodo-2,5-dioxo-3-(3-thienyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid CAS Name: 2-[7-iodo-2,5-dioxo-3-(3-thiophenyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid IUPAC Name: 2-(7-iodo-2,5-dioxo-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-4-yl)-2-phenylacetic acid Traditional Name: 2-[7-iodo-2,5-diketo-3-(3-thienyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenyl-acetic acid Formula: C21H15IN2O4S MolecularWeight: 518.32427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CSC=C4

InChI

InChI=1S/C21H15IN2O4S/c22-14-6-7-16-15(10-14)20(26)24(17(19(25)23-16)13-8-9-29-11-13)18(21(27)28)12-4-2-1-3-5-12/h1-11,17-18H,(H,23,25)(H,27,28)