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

Systemtic Name: methyl 2-[2-(6-methyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(3-allyl-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(6-methyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-allyl-4-keto-6-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

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