3-methyl-5-[[(2S)-2-phenylbutanoyl]amino]thiophene-2-carboxylate

Systemtic Name: 3-methyl-5-[[(2S)-2-phenylbutanoyl]amino]thiophene-2-carboxylate Openeye Name: 3-methyl-5-[[(2S)-2-phenylbutanoyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[(2S)-1-oxo-2-phenylbutyl]amino]-2-thiophenecarboxylate IUPAC Name: 3-methyl-5-[[(2S)-2-phenylbutanoyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[(2S)-2-phenylbutanoyl]amino]-2-thenoate Formula: C16H16NO3S- MolecularWeight: 302.36814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC(=C(S2)C(=O)[O-])C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)NC2=CC(=C(S2)C(=O)[O-])C

InChI

InChI=1S/C16H17NO3S/c1-3-12(11-7-5-4-6-8-11)15(18)17-13-9-10(2)14(21-13)16(19)20/h4-9,12H,3H2,1-2H3,(H,17,18)(H,19,20)/p-1/t12-/m0/s1