(2-methoxy-5-pyrrolidin-1-ylcarbothioyl-phenyl) 3-nitrobenzoate

Systemtic Name: (2-methoxy-5-pyrrolidin-1-ylcarbothioyl-phenyl) 3-nitrobenzoate Openeye Name: [2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-methoxy-5-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-methoxy-5-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S/c1-25-16-8-7-13(18(27)20-9-2-3-10-20)12-17(16)26-19(22)14-5-4-6-15(11-14)21(23)24/h4-8,11-12H,2-3,9-10H2,1H3