methyl 3-[[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophen-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophen-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[3-methyl-5-(pivaloylamino)thiophene-2-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NC(CC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)NC(CC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4S/c1-13-11-16(23-20(26)21(2,3)4)28-18(13)19(25)22-15(12-17(24)27-5)14-9-7-6-8-10-14/h6-11,15H,12H2,1-5H3,(H,22,25)(H,23,26)