4-[(2Z)-2-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]butane-1-sulfonate

Systemtic Name: 4-[(2Z)-2-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]butane-1-sulfonate Openeye Name: 4-[(2Z)-2-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]butane-1-sulfonate CAS Name: 4-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzothiazol-3-yl]-1-butanesulfonate IUPAC Name: 4-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]butane-1-sulfonate Traditional Name: 4-[(2Z)-2-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]butane-1-sulfonate Formula: C16H17N2O4S4- MolecularWeight: 429.57718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C(=O)/C(=C/2\N(C3=CC=CC=C3S2)CCCCS(=O)(=O)[O-])/SC1=S

InChI

InChI=1S/C16H18N2O4S4/c1-2-17-14(19)13(25-16(17)23)15-18(9-5-6-10-26(20,21)22)11-7-3-4-8-12(11)24-15/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,20,21,22)/p-1/b15-13-