S-(2-acetamidoethyl) (E)-2-methyl-3-(3-methyl-2-oxidanylidene-1H-imidazol-5-yl)prop-2-enethioate

Systemtic Name: S-(2-acetamidoethyl) (E)-2-methyl-3-(3-methyl-2-oxidanylidene-1H-imidazol-5-yl)prop-2-enethioate Openeye Name: S-(2-acetamidoethyl) (E)-2-methyl-3-(3-methyl-2-oxo-1H-imidazol-5-yl)prop-2-enethioate CAS Name: (E)-2-methyl-3-(3-methyl-2-oxo-1H-imidazol-5-yl)-2-propenethioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) (E)-2-methyl-3-(3-methyl-2-oxo-1H-imidazol-5-yl)prop-2-enethioate Traditional Name: (E)-3-(2-keto-1-methyl-4-imidazolin-4-yl)-2-methyl-prop-2-enethioic acid S-(2-acetamidoethyl) ester Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CN(C(=O)N1)C)C(=O)SCCNC(=O)C

Isomeric SMILES

C/C(=C\C1=CN(C(=O)N1)C)/C(=O)SCCNC(=O)C

InChI

InChI=1S/C12H17N3O3S/c1-8(6-10-7-15(3)12(18)14-10)11(17)19-5-4-13-9(2)16/h6-7H,4-5H2,1-3H3,(H,13,16)(H,14,18)/b8-6+