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

Systemtic Name: ethyl 2-[[3,4-diaminocarbonyl-5-[(2-chlorophenyl)carbonylcarbamothioylamino]-1H-pyrrol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H18ClN5O5S2 MolecularWeight: 483.94902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O5S2/c1-2-29-10(25)7-31-17-12(14(21)27)11(13(20)26)15(22-17)23-18(30)24-16(28)8-5-3-4-6-9(8)19/h3-6,22H,2,7H2,1H3,(H2,20,26)(H2,21,27)(H2,23,24,28,30)