methyl 2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(5-nitrobenzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-nitrobenzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H11N3O5S2 MolecularWeight: 413.42704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O5S2/c1-26-17(23)9-2-4-12-14(7-9)28-18(19-12)20-16(22)15-8-10-6-11(21(24)25)3-5-13(10)27-15/h2-8H,1H3,(H,19,20,22)