ethyl 2-[[4-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[[4-oxo-4-(2-thienyl)butanoyl]amino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[[4-keto-4-(2-thienyl)butanoyl]amino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C25H31N3O5S/c1-2-33-23(31)19(17-18-7-4-3-5-8-18)27-24(32)25(12-14-26-15-13-25)28-22(30)11-10-20(29)21-9-6-16-34-21/h3-9,16,19,26H,2,10-15,17H2,1H3,(H,27,32)(H,28,30)