methyl 2-[(5-acetamido-3,4-diaminocarbonyl-1H-pyrrol-2-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(5-acetamido-3,4-diaminocarbonyl-1H-pyrrol-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-acetamido-3,4-dicarbamoyl-1H-pyrrol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-acetamido-3,4-dicarbamoyl-1H-pyrrol-2-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-acetamido-3,4-dicarbamoyl-1H-pyrrol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-acetamido-3,4-dicarbamoyl-1H-pyrrol-2-yl)thio]acetic acid methyl ester Formula: C11H14N4O5S MolecularWeight: 314.31766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(N1)SCC(=O)OC)C(=O)N)C(=O)N

Isomeric SMILES

CC(=O)NC1=C(C(=C(N1)SCC(=O)OC)C(=O)N)C(=O)N

InChI

InChI=1S/C11H14N4O5S/c1-4(16)14-10-6(8(12)18)7(9(13)19)11(15-10)21-3-5(17)20-2/h15H,3H2,1-2H3,(H2,12,18)(H2,13,19)(H,14,16)