ethyl 4-[2-[[5-[(3-nitrophenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[5-[(3-nitrophenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-[[(3-nitrophenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H17N5O6S2 MolecularWeight: 487.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O6S2/c1-2-31-18(28)12-6-8-14(9-7-12)21-16(26)11-32-20-24-23-19(33-20)22-17(27)13-4-3-5-15(10-13)25(29)30/h3-10H,2,11H2,1H3,(H,21,26)(H,22,23,27)