4-[(2E)-5-methoxy-2-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]butane-2-sulfonic acid

Systemtic Name: 4-[(2E)-5-methoxy-2-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]butane-2-sulfonic acid Openeye Name: 4-[(2E)-2-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-5-methoxy-1,3-benzothiazol-3-yl]butane-2-sulfonic acid CAS Name: 4-[(2E)-5-methoxy-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzothiazol-3-yl]-2-butanesulfonic acid IUPAC Name: 4-[(2E)-5-methoxy-2-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-benzothiazol-3-yl]butane-2-sulfonic acid Traditional Name: 4-[(2E)-2-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-5-methoxy-1,3-benzothiazol-3-yl]butane-2-sulfonic acid Formula: C18H20N2O5S4 MolecularWeight: 472.6218

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C2=C(C=CC(=C2)OC)SC1=C3C(=O)N(C(=S)S3)CC=C)S(=O)(=O)O

Isomeric SMILES

CC(CCN\1C2=C(C=CC(=C2)OC)S/C1=C/3\C(=O)N(C(=S)S3)CC=C)S(=O)(=O)O

InChI

InChI=1S/C18H20N2O5S4/c1-4-8-20-16(21)15(28-18(20)26)17-19(9-7-11(2)29(22,23)24)13-10-12(25-3)5-6-14(13)27-17/h4-6,10-11H,1,7-9H2,2-3H3,(H,22,23,24)/b17-15+