methyl 4-[[4-oxidanylidene-3-[4-oxidanylidene-4-(pyridin-2-ylamino)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-3-[4-oxidanylidene-4-(pyridin-2-ylamino)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[[4-oxo-3-[4-oxo-4-(2-pyridylamino)butyl]-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate CAS Name: 4-[[4-oxo-3-[4-oxo-4-(2-pyridinylamino)butyl]-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-3-[4-oxo-4-(pyridin-2-ylamino)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Traditional Name: 4-[[4-keto-3-[4-keto-4-(2-pyridylamino)butyl]-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid methyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C21H19N3O4S2/c1-28-20(27)15-9-7-14(8-10-15)13-16-19(26)24(21(29)30-16)12-4-6-18(25)23-17-5-2-3-11-22-17/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,23,25)