ethyl 2-[[5-[(4-iodophenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(4-iodophenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-iodobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4-iodophenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-iodobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-iodobenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C13H12IN3O3S2 MolecularWeight: 449.28715

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C13H12IN3O3S2/c1-2-20-10(18)7-21-13-17-16-12(22-13)15-11(19)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H,15,16,19)