methyl 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-(4-nitrophenyl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: methyl 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-(4-nitrophenyl)sulfanyl-2-phenyl-ethanoate Openeye Name: methyl 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-(4-nitrophenyl)sulfanyl-2-phenyl-acetate CAS Name: 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-[(4-nitrophenyl)thio]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-(4-nitrophenyl)sulfanyl-2-phenylacetate Traditional Name: 2-[carbethoxy-(carbethoxyamino)amino]-2-[(4-nitrophenyl)thio]-2-phenyl-acetic acid methyl ester Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(C(=O)OCC)C(C1=CC=CC=C1)(C(=O)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NN(C(=O)OCC)C(C1=CC=CC=C1)(C(=O)OC)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O8S/c1-4-31-19(26)22-23(20(27)32-5-2)21(18(25)30-3,15-9-7-6-8-10-15)33-17-13-11-16(12-14-17)24(28)29/h6-14H,4-5H2,1-3H3,(H,22,26)