methyl 3-cyano-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]naphthalene-1-carboxylate

Systemtic Name: methyl 3-cyano-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]naphthalene-1-carboxylate Openeye Name: methyl 2-[2-(tert-butoxycarbonylamino)ethylsulfanyl]-3-cyano-naphthalene-1-carboxylate CAS Name: 3-cyano-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]-1-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-cyano-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]naphthalene-1-carboxylate Traditional Name: 2-[2-(tert-butoxycarbonylamino)ethylthio]-3-cyano-naphthalene-1-carboxylic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSC1=C(C2=CC=CC=C2C=C1C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCSC1=C(C2=CC=CC=C2C=C1C#N)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-20(2,3)26-19(24)22-9-10-27-17-14(12-21)11-13-7-5-6-8-15(13)16(17)18(23)25-4/h5-8,11H,9-10H2,1-4H3,(H,22,24)