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

Systemtic Name: 2-[[6-[(5-nitrothiophen-2-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(5-nitrothiophene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(5-nitrothiophene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(5-nitrothiophene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C16H13N3O5S3 MolecularWeight: 423.48652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S3/c1-9(20)24-6-7-25-16-18-11-3-2-10(8-13(11)27-16)17-15(21)12-4-5-14(26-12)19(22)23/h2-5,8H,6-7H2,1H3,(H,17,21)