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

Systemtic Name: butyl 4-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C22H23N3O4S2/c1-3-5-12-29-21(28)15-6-8-16(9-7-15)23-18(26)14-31-22-24-19-17(10-13-30-19)20(27)25(22)11-4-2/h4,6-10,13H,2-3,5,11-12,14H2,1H3,(H,23,26)