methyl 3-[(4-propan-2-ylphenyl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(4-propan-2-ylphenyl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(4-isopropylbenzoyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[oxo-(4-propan-2-ylphenyl)methyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(4-propan-2-ylbenzoyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-(cumoylamino)-3-(2-thienyl)propionic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(CC(=O)OC)C2=CC=CS2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(CC(=O)OC)C2=CC=CS2

InChI

InChI=1S/C18H21NO3S/c1-12(2)13-6-8-14(9-7-13)18(21)19-15(11-17(20)22-3)16-5-4-10-23-16/h4-10,12,15H,11H2,1-3H3,(H,19,21)