methyl (2S)-2-[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C18H21NO3S/c1-4-15-12(2)10-16(23-15)17(20)19-14(18(21)22-3)11-13-8-6-5-7-9-13/h5-10,14H,4,11H2,1-3H3,(H,19,20)/t14-/m0/s1