[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C21H15N3O5S2 MolecularWeight: 453.4909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5S2/c1-12-2-7-15-17(10-12)31-20(23-15)13-3-5-14(6-4-13)22-18(25)11-29-21(26)16-8-9-19(30-16)24(27)28/h2-10H,11H2,1H3,(H,22,25)