ethyl 2-[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[(2E)-2-(3-indolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[(2E)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)O2

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/O2

InChI

InChI=1S/C21H18N4O4S/c1-2-28-20(27)14-8-4-6-10-17(14)23-18(26)12-30-21-25-24-19(29-21)15-11-22-16-9-5-3-7-13(15)16/h3-11,24H,2,12H2,1H3,(H,23,26)/b19-15-