2-[(5Z)-4-oxidanylidene-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoate

Systemtic Name: 2-[(5Z)-4-oxidanylidene-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoate Openeye Name: 2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylene)-2-thioxo-thiazolidin-3-yl]-3-phenyl-propanoate CAS Name: 2-[(5Z)-4-oxo-5-(3-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoate IUPAC Name: 2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoate Traditional Name: 2-[(5Z)-4-keto-5-(pyridin-1-ium-3-ylmethylene)-2-thioxo-thiazolidin-3-yl]-3-phenyl-propionate Formula: C18H14N2O3S2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])N2C(=O)C(=CC3=C[NH+]=CC=C3)SC2=S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)[O-])N2C(=O)/C(=C/C3=C[NH+]=CC=C3)/SC2=S

InChI

InChI=1S/C18H14N2O3S2/c21-16-15(10-13-7-4-8-19-11-13)25-18(24)20(16)14(17(22)23)9-12-5-2-1-3-6-12/h1-8,10-11,14H,9H2,(H,22,23)/b15-10-