2-[2-[[5-(methylcarbamoyl)-1H-imidazol-4-yl]imino]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]ethanoic acid

Systemtic Name: 2-[2-[[5-(methylcarbamoyl)-1H-imidazol-4-yl]imino]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]ethanoic acid Openeye Name: 2-[3-allyl-2-[[5-(methylcarbamoyl)-1H-imidazol-4-yl]imino]-4-oxo-thiazolidin-5-ylidene]acetic acid CAS Name: 2-[2-[[5-(methylcarbamoyl)-1H-imidazol-4-yl]imino]-4-oxo-3-prop-2-enyl-5-thiazolidinylidene]acetic acid IUPAC Name: 2-[2-[[5-(methylcarbamoyl)-1H-imidazol-4-yl]imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]acetic acid Traditional Name: 2-[3-allyl-4-keto-2-[[5-(methylcarbamoyl)-1H-imidazol-4-yl]imino]thiazolidin-5-ylidene]acetic acid Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(N=CN1)N=C2N(C(=O)C(=CC(=O)O)S2)CC=C

Isomeric SMILES

CNC(=O)C1=C(N=CN1)N=C2N(C(=O)C(=CC(=O)O)S2)CC=C

InChI

InChI=1S/C13H13N5O4S/c1-3-4-18-12(22)7(5-8(19)20)23-13(18)17-10-9(11(21)14-2)15-6-16-10/h3,5-6H,1,4H2,2H3,(H,14,21)(H,15,16)(H,19,20)