methyl 4-cyano-3-methyl-5-[[(2R)-2-phenylbutanoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-[[(2R)-2-phenylbutanoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[[(2R)-2-phenylbutanoyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(2R)-1-oxo-2-phenylbutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[[(2R)-2-phenylbutanoyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[(2R)-2-phenylbutanoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N

InChI

InChI=1S/C18H18N2O3S/c1-4-13(12-8-6-5-7-9-12)16(21)20-17-14(10-19)11(2)15(24-17)18(22)23-3/h5-9,13H,4H2,1-3H3,(H,20,21)/t13-/m1/s1