(2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 3-chloranylbenzoate

Systemtic Name: (2-methoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 3-chloranylbenzoate Openeye Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-methoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-methoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C19H18ClNO3S MolecularWeight: 375.86912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCCC2)OC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H18ClNO3S/c1-23-17-12-13(18(25)21-9-2-3-10-21)7-8-16(17)24-19(22)14-5-4-6-15(20)11-14/h4-8,11-12H,2-3,9-10H2,1H3