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

Systemtic Name: 4-chloranyl-2-[2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 2-[[2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-chloro-benzoate CAS Name: 4-chloro-2-[[2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-chloro-2-[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-4-chloro-benzoate Formula: C20H17ClN3O4S2- MolecularWeight: 462.94968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4S2/c1-4-7-24-18(26)16-10(2)11(3)30-17(16)23-20(24)29-9-15(25)22-14-8-12(21)5-6-13(14)19(27)28/h4-6,8H,1,7,9H2,2-3H3,(H,22,25)(H,27,28)/p-1