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

Systemtic Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate CAS Name: 4-[(ethoxycarbonylamino)-oxomethyl]-3-methyl-5-[[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-(carbethoxycarbamoyl)-3-methyl-5-[[1-(2-thienylsulfonyl)prolyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H25N3O8S3 MolecularWeight: 543.6335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CS3)C(=O)NC(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CS3)C(=O)NC(=O)OCC)C

InChI

InChI=1S/C21H25N3O8S3/c1-4-31-20(27)16-12(3)15(18(26)23-21(28)32-5-2)19(34-16)22-17(25)13-8-6-10-24(13)35(29,30)14-9-7-11-33-14/h7,9,11,13H,4-6,8,10H2,1-3H3,(H,22,25)(H,23,26,28)