ethyl 4-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylthio)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]benzoic acid ethyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4

InChI

InChI=1S/C21H21N3O3S2/c1-2-27-21(26)13-7-9-14(10-8-13)24-17(25)11-28-19-18-15-5-3-4-6-16(15)29-20(18)23-12-22-19/h7-10,12H,2-6,11H2,1H3,(H,24,25)