2-dimethylaminoethyl 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate

Systemtic Name: 2-dimethylaminoethyl 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Openeye Name: 2-dimethylaminoethyl 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoate CAS Name: 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 6-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate Traditional Name: 6-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]hexanoic acid 2-dimethylaminoethyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)CCCCCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

CN(C)CCOC(=O)CCCCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/SC1=S

InChI

InChI=1S/C21H26N2O5S2/c1-22(2)10-11-26-19(24)6-4-3-5-9-23-20(25)18(30-21(23)29)13-15-7-8-16-17(12-15)28-14-27-16/h7-8,12-13H,3-6,9-11,14H2,1-2H3/b18-13-