ethyl 3-methyl-4-thiocyanato-5-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-4-thiocyanato-5-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-thiocyanato-5-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[1-(2-thienylsulfonyl)prolyl]amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H19N3O5S4 MolecularWeight: 485.62056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CS3)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CS3)SC#N)C

InChI

InChI=1S/C18H19N3O5S4/c1-3-26-18(23)15-11(2)14(28-10-19)17(29-15)20-16(22)12-6-4-8-21(12)30(24,25)13-7-5-9-27-13/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,20,22)