2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 4-chloranyl-2-fluoranyl-5-methoxy-benzoate

Systemtic Name: 2-[(4-fluoranyl-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 4-chloranyl-2-fluoranyl-5-methoxy-benzoate Openeye Name: 2-[(4-fluoroindan-1-yl)carbamothioylamino]ethyl 4-chloro-2-fluoro-5-methoxy-benzoate CAS Name: 4-chloro-2-fluoro-5-methoxybenzoic acid 2-[[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamothioylamino]ethyl 4-chloro-2-fluoro-5-methoxybenzoate Traditional Name: 4-chloro-2-fluoro-5-methoxy-benzoic acid 2-[(4-fluoroindan-1-yl)thiocarbamoylamino]ethyl ester Formula: C20H19ClF2N2O3S MolecularWeight: 440.891266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCCNC(=S)NC2CCC3=C2C=CC=C3F)F)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCCNC(=S)NC2CCC3=C2C=CC=C3F)F)Cl

InChI

InChI=1S/C20H19ClF2N2O3S/c1-27-18-9-13(16(23)10-14(18)21)19(26)28-8-7-24-20(29)25-17-6-5-11-12(17)3-2-4-15(11)22/h2-4,9-10,17H,5-8H2,1H3,(H2,24,25,29)