methyl 4-methylsulfanyl-2-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoate Traditional Name: 4-(methylthio)-2-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]butyric acid methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C19H20N4O4S/c1-26-18(24)14(7-10-28-2)23-19(25)21-13-3-4-16-15(11-13)22-17(27-16)12-5-8-20-9-6-12/h3-6,8-9,11,14H,7,10H2,1-2H3,(H2,21,23,25)