methyl 2-(4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-(4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-(4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl(oxo)methyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(4,5-dihydrothien[2,3-g]indoxazene-3-carbonylamino)-4-(methylthio)butyric acid methyl ester Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=NOC2=C1CCC3=C2C=CS3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=NOC2=C1CCC3=C2C=CS3

InChI

InChI=1S/C16H18N2O4S2/c1-21-16(20)11(6-7-23-2)17-15(19)13-10-3-4-12-9(5-8-24-12)14(10)22-18-13/h5,8,11H,3-4,6-7H2,1-2H3,(H,17,19)