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

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Openeye Name: [2-(ethylcarbamoylamino)-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-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-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-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c1-2-19-18(26)22-13(23)9-27-14(24)8-7-12-20-16(25)15-10-5-3-4-6-11(10)28-17(15)21-12/h2-9H2,1H3,(H,20,21,25)(H2,19,22,23,26)