ethyl 2-[[5-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-phthalimidobutanoylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H18N4O5S2/c1-2-27-14(24)10-28-18-21-20-17(29-18)19-13(23)8-5-9-22-15(25)11-6-3-4-7-12(11)16(22)26/h3-4,6-7H,2,5,8-10H2,1H3,(H,19,20,23)