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

Systemtic Name: methyl 3-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S2/c1-3-8-22-17(24)14-7-9-27-16(14)21-19(22)28-11-15(23)20-13-6-4-5-12(10-13)18(25)26-2/h3-7,9-10H,1,8,11H2,2H3,(H,20,23)