methyl 4,5-dimethoxy-2-(pyrrolidin-1-ylcarbothioylamino)benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-(pyrrolidin-1-ylcarbothioylamino)benzoate Openeye Name: methyl 4,5-dimethoxy-2-(pyrrolidine-1-carbothioylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-(pyrrolidine-1-carbothioylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(pyrrolidine-1-carbothioylamino)benzoic acid methyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCCC2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCCC2)OC

InChI

InChI=1S/C15H20N2O4S/c1-19-12-8-10(14(18)21-3)11(9-13(12)20-2)16-15(22)17-6-4-5-7-17/h8-9H,4-7H2,1-3H3,(H,16,22)