1-[2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-2-thienyl]amino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[[5-[dimethylamino(oxo)methyl]-3-ethoxycarbonyl-4-methyl-2-thiophenyl]amino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[[3-carbethoxy-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C21H30N2O6S MolecularWeight: 438.5377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CC2(CCCCCC2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C21H30N2O6S/c1-5-29-19(26)15-13(2)16(18(25)23(3)4)30-17(15)22-14(24)12-21(20(27)28)10-8-6-7-9-11-21/h5-12H2,1-4H3,(H,22,24)(H,27,28)