butan-2-yl 2-[(3-fluoranyl-4-methoxy-phenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: butan-2-yl 2-[(3-fluoranyl-4-methoxy-phenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[(3-fluoro-4-methoxy-phenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-fluoro-4-methoxyanilino)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-fluoro-4-methoxy-phenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O4S/c1-4-12(2)28-20(25)18-14-7-5-6-8-17(14)29-19(18)24-21(26)23-13-9-10-16(27-3)15(22)11-13/h9-12H,4-8H2,1-3H3,(H2,23,24,26)