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

Systemtic Name: methyl 4-[[2-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H19N3O4S/c1-3-14-8-15-17(27-14)21-11-22(18(15)24)10-16(23)20-9-12-4-6-13(7-5-12)19(25)26-2/h4-8,11H,3,9-10H2,1-2H3,(H,20,23)