[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propanoate CAS Name: 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Traditional Name: 3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propionic acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)COC(=O)CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

Isomeric SMILES

CNC(=O)NC(=O)COC(=O)CCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

InChI

InChI=1S/C17H20N4O5S/c1-18-17(25)21-12(22)8-26-13(23)7-6-11-19-15(24)14-9-4-2-3-5-10(9)27-16(14)20-11/h2-8H2,1H3,(H,19,20,24)(H2,18,21,22,25)