methyl 4-[[3-cyano-4-(4-fluorophenyl)-5-methyl-thiophen-2-yl]carbamoylamino]benzoate

Systemtic Name: methyl 4-[[3-cyano-4-(4-fluorophenyl)-5-methyl-thiophen-2-yl]carbamoylamino]benzoate Openeye Name: methyl 4-[[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thienyl]carbamoylamino]benzoate CAS Name: 4-[[[[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thiophenyl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]carbamoylamino]benzoate Traditional Name: 4-[[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thienyl]carbamoylamino]benzoic acid methyl ester Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)NC2=CC=C(C=C2)C(=O)OC)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)NC2=CC=C(C=C2)C(=O)OC)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H16FN3O3S/c1-12-18(13-3-7-15(22)8-4-13)17(11-23)19(29-12)25-21(27)24-16-9-5-14(6-10-16)20(26)28-2/h3-10H,1-2H3,(H2,24,25,27)