methyl 4-cyano-3-methyl-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H19N5O5S2 MolecularWeight: 473.52536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H19N5O5S2/c1-11-13(10-21)18(32-16(11)19(27)30-2)23-20(31)22-17(26)12-5-6-14(15(9-12)25(28)29)24-7-3-4-8-24/h5-6,9H,3-4,7-8H2,1-2H3,(H2,22,23,26,31)