3-[2-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[2-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: 3-[2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[2-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C16H15N2O4S4- MolecularWeight: 427.5613

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=C2N(C3=CC=CC=C3S2)CCCS(=O)(=O)[O-])SC1=S

Isomeric SMILES

C=CCN1C(=O)C(=C2N(C3=CC=CC=C3S2)CCCS(=O)(=O)[O-])SC1=S

InChI

InChI=1S/C16H16N2O4S4/c1-2-8-18-14(19)13(25-16(18)23)15-17(9-5-10-26(20,21)22)11-6-3-4-7-12(11)24-15/h2-4,6-7H,1,5,8-10H2,(H,20,21,22)/p-1