4-[2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 4-[2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 4-[[2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoate Formula: C20H18N3O4S2- MolecularWeight: 428.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])CC=C)C

InChI

InChI=1S/C20H19N3O4S2/c1-4-9-23-18(25)16-11(2)12(3)29-17(16)22-20(23)28-10-15(24)21-14-7-5-13(6-8-14)19(26)27/h4-8H,1,9-10H2,2-3H3,(H,21,24)(H,26,27)/p-1