methyl 2-[[6-[(5-nitrothiophen-2-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(5-nitrothiophen-2-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(5-nitrothiophene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(5-nitrothiophene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(5-nitrothiophene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C15H11N3O5S3 MolecularWeight: 409.45994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O5S3/c1-23-13(19)7-24-15-17-9-3-2-8(6-11(9)26-15)16-14(20)10-4-5-12(25-10)18(21)22/h2-6H,7H2,1H3,(H,16,20)