4-methyl-3-[2-(3-oxidanylidenepyrrolidin-2-yl)prop-2-enoylamino]pent-1-ene-3-sulfonic acid

Systemtic Name: 4-methyl-3-[2-(3-oxidanylidenepyrrolidin-2-yl)prop-2-enoylamino]pent-1-ene-3-sulfonic acid Openeye Name: 4-methyl-3-[2-(3-oxopyrrolidin-2-yl)prop-2-enoylamino]pent-1-ene-3-sulfonic acid CAS Name: 4-methyl-3-[[1-oxo-2-(3-oxo-2-pyrrolidinyl)prop-2-enyl]amino]-1-pentene-3-sulfonic acid IUPAC Name: 4-methyl-3-[2-(3-oxopyrrolidin-2-yl)prop-2-enoylamino]pent-1-ene-3-sulfonic acid Traditional Name: 3-[[2-(3-ketopyrrolidin-2-yl)acryloyl]amino]-4-methyl-pent-1-ene-3-sulfonic acid Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=C)(NC(=O)C(=C)C1C(=O)CCN1)S(=O)(=O)O

Isomeric SMILES

CC(C)C(C=C)(NC(=O)C(=C)C1C(=O)CCN1)S(=O)(=O)O

InChI

InChI=1S/C13H20N2O5S/c1-5-13(8(2)3,21(18,19)20)15-12(17)9(4)11-10(16)6-7-14-11/h5,8,11,14H,1,4,6-7H2,2-3H3,(H,15,17)(H,18,19,20)