methyl 3-[2-[3-[(5-methylthiophen-2-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(5-methylthiophen-2-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C22H17NO3S/c1-15-9-12-20(27-15)21(24)23-19-8-4-6-17(14-19)11-10-16-5-3-7-18(13-16)22(25)26-2/h3-9,12-14H,1-2H3,(H,23,24)