2-[[2-(1,3-dithiol-2-ylidene)-3-methoxy-3-oxidanylidene-propanoyl]amino]-5-methoxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[[2-(1,3-dithiol-2-ylidene)-3-methoxy-3-oxidanylidene-propanoyl]amino]-5-methoxy-5-oxidanylidene-pentanoic acid Openeye Name: 2-[[2-(1,3-dithiol-2-ylidene)-3-methoxy-3-oxo-propanoyl]amino]-5-methoxy-5-oxo-pentanoic acid CAS Name: 2-[[2-(1,3-dithiol-2-ylidene)-3-methoxy-1,3-dioxopropyl]amino]-5-methoxy-5-oxopentanoic acid IUPAC Name: 2-[[2-(1,3-dithiol-2-ylidene)-3-methoxy-3-oxopropanoyl]amino]-5-methoxy-5-oxopentanoic acid Traditional Name: 2-[[2-(1,3-dithiol-2-ylidene)-3-keto-3-methoxy-propanoyl]amino]-5-keto-5-methoxy-valeric acid Formula: C13H15NO7S2 MolecularWeight: 361.3907

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)O)NC(=O)C(=C1SC=CS1)C(=O)OC

Isomeric SMILES

COC(=O)CCC(C(=O)O)NC(=O)C(=C1SC=CS1)C(=O)OC

InChI

InChI=1S/C13H15NO7S2/c1-20-8(15)4-3-7(11(17)18)14-10(16)9(12(19)21-2)13-22-5-6-23-13/h5-7H,3-4H2,1-2H3,(H,14,16)(H,17,18)