3-[(2-azanyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)sulfonyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[(2-azanyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)sulfonyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)sulfonyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)sulfonyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)sulfonyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)sulfonyl]-4,5-dimethyl-benzoic acid Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCC3=C(C2)SC(=C3C#N)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCC3=C(C2)SC(=C3C#N)N)C

InChI

InChI=1S/C17H17N3O4S2/c1-9-5-11(17(21)22)6-15(10(9)2)26(23,24)20-4-3-12-13(7-18)16(19)25-14(12)8-20/h5-6H,3-4,8,19H2,1-2H3,(H,21,22)