2-[(5Z)-5-[(4-methyl-1,4-diazepan-1-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(5Z)-5-[(4-methyl-1,4-diazepan-1-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[(5Z)-5-[(4-methyl-1,4-diazepan-1-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[(5Z)-5-[(4-methyl-1,4-diazepan-1-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[(5Z)-5-[(4-methyl-1,4-diazepan-1-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[(5Z)-4-keto-5-[(4-methyl-1,4-diazepan-1-yl)methylene]-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C12H17N3O3S2 MolecularWeight: 315.41168

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C=C2C(=O)N(C(=S)S2)CC(=O)O

Isomeric SMILES

CN1CCCN(CC1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)O

InChI

InChI=1S/C12H17N3O3S2/c1-13-3-2-4-14(6-5-13)7-9-11(18)15(8-10(16)17)12(19)20-9/h7H,2-6,8H2,1H3,(H,16,17)/b9-7-