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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

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