methyl 3-[(6-chloranyl-3-oxidanylidene-1,2-dihydroinden-2-yl)sulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-[(6-chloranyl-3-oxidanylidene-1,2-dihydroinden-2-yl)sulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-(5-chloro-1-oxo-indan-2-yl)sulfanyl-propanoate CAS Name: 3-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)sulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(5-chloro-1-keto-indan-2-yl)thio]propionic acid methyl ester Formula: C18H22ClNO5S MolecularWeight: 399.88898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1CC2=C(C1=O)C=CC(=C2)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1CC2=C(C1=O)C=CC(=C2)Cl)C(=O)OC

InChI

InChI=1S/C18H22ClNO5S/c1-18(2,3)25-17(23)20-13(16(22)24-4)9-26-14-8-10-7-11(19)5-6-12(10)15(14)21/h5-7,13-14H,8-9H2,1-4H3,(H,20,23)