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

Systemtic Name: 2-[3-(4-chlorophenyl)-7-iodanyl-2,5-bis(oxidanylidene)-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-thiophen-2-yl-ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(2-thienyl)acetic acid CAS Name: 2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-thiophen-2-ylacetic acid IUPAC Name: 2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-thiophen-2-ylacetic acid Traditional Name: 2-[3-(4-chlorophenyl)-7-iodo-2,5-diketo-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(2-thienyl)acetic acid Formula: C21H14ClIN2O4S MolecularWeight: 552.76933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClIN2O4S/c22-12-5-3-11(4-6-12)17-19(26)24-15-8-7-13(23)10-14(15)20(27)25(17)18(21(28)29)16-2-1-9-30-16/h1-10,17-18H,(H,24,26)(H,28,29)