ethyl 4-pyrrolidin-1-ylcarbothioylbenzoate

Systemtic Name: ethyl 4-pyrrolidin-1-ylcarbothioylbenzoate Openeye Name: ethyl 4-(pyrrolidine-1-carbothioyl)benzoate CAS Name: 4-[1-pyrrolidinyl(sulfanylidene)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(pyrrolidine-1-carbothioyl)benzoate Traditional Name: 4-(pyrrolidine-1-carbothioyl)benzoic acid ethyl ester Formula: C14H17NO2S MolecularWeight: 263.35528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=S)N2CCCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=S)N2CCCC2

InChI

InChI=1S/C14H17NO2S/c1-2-17-14(16)12-7-5-11(6-8-12)13(18)15-9-3-4-10-15/h5-8H,2-4,9-10H2,1H3