propan-2-yl 3-(1,3-benzodioxol-5-yl)-2-(1,3-dithiol-2-ylidene)-3-oxidanylidene-propanoate

Systemtic Name: propan-2-yl 3-(1,3-benzodioxol-5-yl)-2-(1,3-dithiol-2-ylidene)-3-oxidanylidene-propanoate Openeye Name: isopropyl 3-(1,3-benzodioxol-5-yl)-2-(1,3-dithiol-2-ylidene)-3-oxo-propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-(1,3-dithiol-2-ylidene)-3-oxopropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(1,3-benzodioxol-5-yl)-2-(1,3-dithiol-2-ylidene)-3-oxopropanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(1,3-dithiol-2-ylidene)-3-keto-propionic acid isopropyl ester Formula: C16H14O5S2 MolecularWeight: 350.40936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=C1SC=CS1)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)OC(=O)C(=C1SC=CS1)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14O5S2/c1-9(2)21-15(18)13(16-22-5-6-23-16)14(17)10-3-4-11-12(7-10)20-8-19-11/h3-7,9H,8H2,1-2H3