methyl 4-methylsulfanyl-2-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]carbamoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]carbamoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[1-[2-(4-methylthiazol-5-yl)ethyl]pyrazol-4-yl]carbamoylamino]butanoate CAS Name: 2-[[[[1-[2-(4-methyl-5-thiazolyl)ethyl]-4-pyrazolyl]amino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]carbamoylamino]butanoate Traditional Name: 2-[[1-[2-(4-methylthiazol-5-yl)ethyl]pyrazol-4-yl]carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C16H23N5O3S2 MolecularWeight: 397.51552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCN2C=C(C=N2)NC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=C(SC=N1)CCN2C=C(C=N2)NC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C16H23N5O3S2/c1-11-14(26-10-17-11)4-6-21-9-12(8-18-21)19-16(23)20-13(5-7-25-3)15(22)24-2/h8-10,13H,4-7H2,1-3H3,(H2,19,20,23)