6-azanyl-1-(2,2-dimethyl-5-oxidanylidene-1,3-thiazolidin-3-yl)-2,3-dihydroazepine-3-carboxylic acid

Systemtic Name: 6-azanyl-1-(2,2-dimethyl-5-oxidanylidene-1,3-thiazolidin-3-yl)-2,3-dihydroazepine-3-carboxylic acid Openeye Name: 6-amino-1-(2,2-dimethyl-5-oxo-thiazolidin-3-yl)-2,3-dihydroazepine-3-carboxylic acid CAS Name: 6-amino-1-(2,2-dimethyl-5-oxo-3-thiazolidinyl)-2,3-dihydroazepine-3-carboxylic acid IUPAC Name: 6-amino-1-(2,2-dimethyl-5-oxo-1,3-thiazolidin-3-yl)-2,3-dihydroazepine-3-carboxylic acid Traditional Name: 6-amino-1-(5-keto-2,2-dimethyl-thiazolidin-3-yl)-2,3-dihydroazepine-3-carboxylic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(CC(=O)S1)N2CC(C=CC(=C2)N)C(=O)O)C

Isomeric SMILES

CC1(N(CC(=O)S1)N2CC(C=CC(=C2)N)C(=O)O)C

InChI

InChI=1S/C12H17N3O3S/c1-12(2)15(7-10(16)19-12)14-5-8(11(17)18)3-4-9(13)6-14/h3-4,6,8H,5,7,13H2,1-2H3,(H,17,18)