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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)O2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)O2

InChI

InChI=1S/C21H18N4O4S/c1-28-20(27)14-8-6-13(7-9-14)10-23-18(26)12-30-21-25-24-19(29-21)16-11-22-17-5-3-2-4-15(16)17/h2-9,11,24H,10,12H2,1H3,(H,23,26)