ethyl 2-[(3-nitrophenyl)-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[(3-nitrophenyl)-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanoyl]amino]ethanoate Openeye Name: ethyl 2-(3-nitro-N-[2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]anilino)acetate CAS Name: 2-(3-nitro-N-[1-oxo-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylthio)ethyl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-nitro-N-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]anilino)acetate Traditional Name: 2-(3-nitro-N-[2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylthio)acetyl]anilino)acetic acid ethyl ester Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4

Isomeric SMILES

CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4

InChI

InChI=1S/C22H22N4O5S2/c1-2-31-19(28)11-25(14-6-5-7-15(10-14)26(29)30)18(27)12-32-21-20-16-8-3-4-9-17(16)33-22(20)24-13-23-21/h5-7,10,13H,2-4,8-9,11-12H2,1H3