methyl 3-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C21H19ClFNO5S MolecularWeight: 451.895663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)OC

InChI

InChI=1S/C21H19ClFNO5S/c1-27-15-7-4-11(8-16(15)28-2)14(10-18(25)29-3)24-21(26)20-19(22)13-6-5-12(23)9-17(13)30-20/h4-9,14H,10H2,1-3H3,(H,24,26)