methyl 5-[3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 5-[[1-oxo-3-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]propyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 5-[3-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C20H21N3O7S2 MolecularWeight: 479.52664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

InChI

InChI=1S/C20H21N3O7S2/c1-29-19(25)16-6-7-18(31-16)21-17(24)8-11-23-14-5-4-13(12-15(14)30-20(23)26)32(27,28)22-9-2-3-10-22/h4-7,12H,2-3,8-11H2,1H3,(H,21,24)