ethyl 1-[(4-methylsulfanylphenyl)carbamoylamino]-6-(trifluoromethyl)indole-3-carboxylate

Systemtic Name: ethyl 1-[(4-methylsulfanylphenyl)carbamoylamino]-6-(trifluoromethyl)indole-3-carboxylate Openeye Name: ethyl 1-[(4-methylsulfanylphenyl)carbamoylamino]-6-(trifluoromethyl)indole-3-carboxylate CAS Name: 1-[[[4-(methylthio)anilino]-oxomethyl]amino]-6-(trifluoromethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methylsulfanylphenyl)carbamoylamino]-6-(trifluoromethyl)indole-3-carboxylate Traditional Name: 1-[[4-(methylthio)phenyl]carbamoylamino]-6-(trifluoromethyl)indole-3-carboxylic acid ethyl ester Formula: C20H18F3N3O3S MolecularWeight: 437.43543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C1C=CC(=C2)C(F)(F)F)NC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN(C2=C1C=CC(=C2)C(F)(F)F)NC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H18F3N3O3S/c1-3-29-18(27)16-11-26(17-10-12(20(21,22)23)4-9-15(16)17)25-19(28)24-13-5-7-14(30-2)8-6-13/h4-11H,3H2,1-2H3,(H2,24,25,28)