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

Systemtic Name: methyl 4-[[2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[3-methyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[2-[[4-keto-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C23H21N3O4S3 MolecularWeight: 499.62554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2C

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2C

InChI

InChI=1S/C23H21N3O4S3/c1-13(19(27)24-11-14-6-8-15(9-7-14)22(29)30-3)33-23-25-20-18(21(28)26(23)2)16(12-32-20)17-5-4-10-31-17/h4-10,12-13H,11H2,1-3H3,(H,24,27)