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

Systemtic Name: 2-azanylethanoyl 3-(1,3-benzodioxol-5-yl)-2-(1,3-dithiol-2-ylidene)-3-oxidanylidene-propanoate Openeye Name: (2-aminoacetyl) 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 (2-amino-1-oxoethyl) ester IUPAC Name: (2-aminoacetyl) 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 glycyl ester Formula: C15H11NO6S2 MolecularWeight: 365.38094

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C(=C3SC=CS3)C(=O)OC(=O)CN

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)C(=C3SC=CS3)C(=O)OC(=O)CN

InChI

InChI=1S/C15H11NO6S2/c16-6-11(17)22-14(19)12(15-23-3-4-24-15)13(18)8-1-2-9-10(5-8)21-7-20-9/h1-5H,6-7,16H2