methyl 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-(4-methoxyphenyl)-2-phenylsulfanyl-ethanoate

Systemtic Name: methyl 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-(4-methoxyphenyl)-2-phenylsulfanyl-ethanoate Openeye Name: methyl 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-(4-methoxyphenyl)-2-phenylsulfanyl-acetate CAS Name: 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-(4-methoxyphenyl)-2-(phenylthio)acetic acid methyl ester IUPAC Name: methyl 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-(4-methoxyphenyl)-2-phenylsulfanylacetate Traditional Name: 2-[carbethoxy-(carbethoxyamino)amino]-2-(4-methoxyphenyl)-2-(phenylthio)acetic acid methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(C(=O)OCC)C(C1=CC=C(C=C1)OC)(C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)NN(C(=O)OCC)C(C1=CC=C(C=C1)OC)(C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O7S/c1-5-30-20(26)23-24(21(27)31-6-2)22(19(25)29-4,32-18-10-8-7-9-11-18)16-12-14-17(28-3)15-13-16/h7-15H,5-6H2,1-4H3,(H,23,26)