methyl 2-[2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1CC=C

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=C(C(=C(S2)C)C)C(=O)N1CC=C

InChI

InChI=1S/C20H27N3O4S2/c1-7-9-23-18(25)15-12(4)13(5)29-17(15)22-20(23)28-10-14(24)21-16(11(3)8-2)19(26)27-6/h7,11,16H,1,8-10H2,2-6H3,(H,21,24)