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

Systemtic Name: ethyl 2-[(5-acetamido-3,4-diaminocarbonyl-1H-pyrrol-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C12H16N4O5S MolecularWeight: 328.34424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=C(N1)NC(=O)C)C(=O)N)C(=O)N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=C(N1)NC(=O)C)C(=O)N)C(=O)N

InChI

InChI=1S/C12H16N4O5S/c1-3-21-6(18)4-22-12-8(10(14)20)7(9(13)19)11(16-12)15-5(2)17/h16H,3-4H2,1-2H3,(H2,13,19)(H2,14,20)(H,15,17)