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

Systemtic Name: methyl 2-[2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(3-allyl-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(6-ethyl-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-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-allyl-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H21N3O4S2/c1-4-10-24-19(26)15-11-13(5-2)30-18(15)23-21(24)29-12-17(25)22-16-9-7-6-8-14(16)20(27)28-3/h4,6-9,11H,1,5,10,12H2,2-3H3,(H,22,25)