3-[4-[1,1-bis(oxidanylidene)-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,5-thiadiazolidin-2-yl]cyclohexyl]propanoic acid

Systemtic Name: 3-[4-[1,1-bis(oxidanylidene)-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,5-thiadiazolidin-2-yl]cyclohexyl]propanoic acid Openeye Name: 3-[4-[1,1-dioxo-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,5-thiadiazolidin-2-yl]cyclohexyl]propanoic acid CAS Name: 3-[4-[1,1-dioxo-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,5-thiadiazolidin-2-yl]cyclohexyl]propanoic acid IUPAC Name: 3-[4-[1,1-dioxo-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,5-thiadiazolidin-2-yl]cyclohexyl]propanoic acid Traditional Name: 3-[4-[1,1-diketo-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,5-thiadiazolidin-2-yl]cyclohexyl]propionic acid Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC(=O)O)N2CCN(S2(=O)=O)C3=CC4=C(CCNCC4)C=C3

Isomeric SMILES

C1CC(CCC1CCC(=O)O)N2CCN(S2(=O)=O)C3=CC4=C(CCNCC4)C=C3

InChI

InChI=1S/C21H31N3O4S/c25-21(26)8-3-16-1-5-19(6-2-16)23-13-14-24(29(23,27)28)20-7-4-17-9-11-22-12-10-18(17)15-20/h4,7,15-16,19,22H,1-3,5-6,8-14H2,(H,25,26)