N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2-dimethylaminoethylamino)propanamide; ethanedioic acid

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2-dimethylaminoethylamino)propanamide; ethanedioic acid Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2-dimethylaminoethylamino)propanamide; oxalic acid CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2-dimethylaminoethylamino)propanamide; oxalic acid IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2-dimethylaminoethylamino)propanamide; oxalic acid Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2-dimethylaminoethylamino)propionamide; oxalic acid Formula: C21H30N4O9S MolecularWeight: 514.5493

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNCCC(=O)NC1=C(C2=C(S1)CCCCC2)C#N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCNCCC(=O)NC1=C(C2=C(S1)CCCCC2)C#N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N4OS.2C2H2O4/c1-21(2)11-10-19-9-8-16(22)20-17-14(12-18)13-6-4-3-5-7-15(13)23-17;2*3-1(4)2(5)6/h19H,3-11H2,1-2H3,(H,20,22);2*(H,3,4)(H,5,6)