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

Systemtic Name: methyl 2-[[3,4-diaminocarbonyl-5-[(2-chlorophenyl)carbonylcarbamothioylamino]-1H-pyrrol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3,4-dicarbamoyl-5-[(2-chlorobenzoyl)carbamothioylamino]-1H-pyrrol-2-yl]sulfanyl]acetate CAS Name: 2-[[3,4-dicarbamoyl-5-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1H-pyrrol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3,4-dicarbamoyl-5-[(2-chlorobenzoyl)carbamothioylamino]-1H-pyrrol-2-yl]sulfanyl]acetate Traditional Name: 2-[[3,4-dicarbamoyl-5-[(2-chlorobenzoyl)thiocarbamoylamino]-1H-pyrrol-2-yl]thio]acetic acid methyl ester Formula: C17H16ClN5O5S2 MolecularWeight: 469.92244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=C(N1)NC(=S)NC(=O)C2=CC=CC=C2Cl)C(=O)N)C(=O)N

Isomeric SMILES

COC(=O)CSC1=C(C(=C(N1)NC(=S)NC(=O)C2=CC=CC=C2Cl)C(=O)N)C(=O)N

InChI

InChI=1S/C17H16ClN5O5S2/c1-28-9(24)6-30-16-11(13(20)26)10(12(19)25)14(21-16)22-17(29)23-15(27)7-4-2-3-5-8(7)18/h2-5,21H,6H2,1H3,(H2,19,25)(H2,20,26)(H2,22,23,27,29)