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

Systemtic Name: ethyl 2-[[5-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(5-nitrobenzothiophene-2-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(5-nitrobenzothiophene-2-carbonyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C15H12N4O5S3 MolecularWeight: 424.47458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O5S3/c1-2-24-12(20)7-25-15-18-17-14(27-15)16-13(21)11-6-8-5-9(19(22)23)3-4-10(8)26-11/h3-6H,2,7H2,1H3,(H,16,17,21)