ethyl 2-[[4-[[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbonylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-[[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]carbonylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[[3,5-bis(methylsulfanyl)isothiazole-4-carbonyl]amino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[[3,5-bis(methylthio)-4-isothiazolyl]-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[[3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonyl]amino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[[3,5-bis(methylthio)isothiazole-4-carbonyl]amino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C23H30N4O4S3 MolecularWeight: 522.7037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C3=C(SN=C3SC)SC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C3=C(SN=C3SC)SC

InChI

InChI=1S/C23H30N4O4S3/c1-4-31-20(29)16(14-15-8-6-5-7-9-15)25-22(30)23(10-12-24-13-11-23)26-18(28)17-19(32-2)27-34-21(17)33-3/h5-9,16,24H,4,10-14H2,1-3H3,(H,25,30)(H,26,28)