methyl 1-ethanoyl-2,2-dimethyl-4-[2-methylsulfanylethyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3H-pyrrole-5-carboxylate

Systemtic Name: methyl 1-ethanoyl-2,2-dimethyl-4-[2-methylsulfanylethyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3H-pyrrole-5-carboxylate Openeye Name: methyl 1-acetyl-2,2-dimethyl-4-[2-methylsulfanylethyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3H-pyrrole-5-carboxylate CAS Name: 1-acetyl-2,2-dimethyl-4-[2-(methylthio)ethyl-[(4-nitrophenyl)methoxy-oxomethyl]amino]-3H-pyrrole-5-carboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-2,2-dimethyl-4-[2-methylsulfanylethyl-[(4-nitrophenyl)methoxycarbonyl]amino]-3H-pyrrole-5-carboxylate Traditional Name: 1-acetyl-5,5-dimethyl-3-[2-(methylthio)ethyl-(4-nitrobenzyl)oxycarbonyl-amino]-2-pyrroline-2-carboxylic acid methyl ester Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=C(CC1(C)C)N(CCSC)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)N1C(=C(CC1(C)C)N(CCSC)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H27N3O7S/c1-14(25)23-18(19(26)30-4)17(12-21(23,2)3)22(10-11-32-5)20(27)31-13-15-6-8-16(9-7-15)24(28)29/h6-9H,10-13H2,1-5H3