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

Systemtic Name: methyl 3-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: 3-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C19H15ClFNO3S MolecularWeight: 391.843703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClFNO3S/c1-25-16(23)10-14(11-5-3-2-4-6-11)22-19(24)18-17(20)13-8-7-12(21)9-15(13)26-18/h2-9,14H,10H2,1H3,(H,22,24)