methyl 4-[[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

InChI

InChI=1S/C19H17N3O5S2/c1-27-18(24)13-5-3-12(4-6-13)17(23)20-19-21(9-10-28-2)15-8-7-14(22(25)26)11-16(15)29-19/h3-8,11H,9-10H2,1-2H3