ethyl (2S)-2-[(5-azanyl-1-methyl-3-phenyl-pyrazol-4-yl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-[(5-azanyl-1-methyl-3-phenyl-pyrazol-4-yl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-[(5-amino-1-methyl-3-phenyl-pyrazol-4-yl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(5-amino-1-methyl-3-phenyl-4-pyrazolyl)amino]-oxomethyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(5-amino-1-methyl-3-phenylpyrazol-4-yl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(5-amino-1-methyl-3-phenyl-pyrazol-4-yl)carbamoylamino]-4-(methylthio)butyric acid ethyl ester Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)NC1=C(N(N=C1C2=CC=CC=C2)C)N

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NC(=O)NC1=C(N(N=C1C2=CC=CC=C2)C)N

InChI

InChI=1S/C18H25N5O3S/c1-4-26-17(24)13(10-11-27-3)20-18(25)21-15-14(22-23(2)16(15)19)12-8-6-5-7-9-12/h5-9,13H,4,10-11,19H2,1-3H3,(H2,20,21,25)/t13-/m0/s1