(2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 2-nitrobenzoate

Systemtic Name: (2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 2-nitrobenzoate Openeye Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-methoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5S/c1-25-17-12-13(18(27)20-10-4-5-11-20)8-9-16(17)26-19(22)14-6-2-3-7-15(14)21(23)24/h2-3,6-9,12H,4-5,10-11H2,1H3