methyl (2S)-2-[2-[(5-methylthiophen-2-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(5-methylthiophen-2-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H20N2O4S/c1-12-8-9-15(25-12)17(22)19-11-16(21)20-14(18(23)24-2)10-13-6-4-3-5-7-13/h3-9,14H,10-11H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1