methyl (3S)-3-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: methyl (3S)-3-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-methylphenyl)propanoate Openeye Name: methyl (3S)-3-[(4-fluorobenzothiophene-2-carbonyl)amino]-3-(p-tolyl)propanoate CAS Name: (3S)-3-[[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-(4-methylphenyl)propanoate Traditional Name: (3S)-3-[(4-fluorobenzothiophene-2-carbonyl)amino]-3-(p-tolyl)propionic acid methyl ester Formula: C20H18FNO3S MolecularWeight: 371.425223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)OC)NC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C20H18FNO3S/c1-12-6-8-13(9-7-12)16(11-19(23)25-2)22-20(24)18-10-14-15(21)4-3-5-17(14)26-18/h3-10,16H,11H2,1-2H3,(H,22,24)/t16-/m0/s1