4-methyl-3-[2-[3-(2-methylpropyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: 4-methyl-3-[2-[3-(2-methylpropyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: 3-[[2-[3-isobutyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-[[3-(2-methylpropyl)-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-methyl-3-[[2-[3-(2-methylpropyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[3-isobutyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-4-methyl-benzoate Formula: C24H22N3O4S3- MolecularWeight: 512.64418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC(C)C

InChI

InChI=1S/C24H23N3O4S3/c1-13(2)10-27-22(29)20-16(18-5-4-8-32-18)11-33-21(20)26-24(27)34-12-19(28)25-17-9-15(23(30)31)7-6-14(17)3/h4-9,11,13H,10,12H2,1-3H3,(H,25,28)(H,30,31)/p-1