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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Openeye Name: [2-(1-ethylpropylamino)-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-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 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-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-3-12(4-2)21-16(24)11-27-17(25)10-9-15-22-19(26)18-13-7-5-6-8-14(13)28-20(18)23-15/h12H,3-11H2,1-2H3,(H,21,24)(H,22,23,26)