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

Systemtic Name: ethyl 4-[2-(7-tert-butyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(7-tert-butyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid ethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CC(CC4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CC(CC4)C(C)(C)C

InChI

InChI=1S/C25H29N3O4S/c1-5-32-24(31)15-6-9-17(10-7-15)27-20(29)13-28-14-26-22-21(23(28)30)18-11-8-16(25(2,3)4)12-19(18)33-22/h6-7,9-10,14,16H,5,8,11-13H2,1-4H3,(H,27,29)