methyl 4-[2-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-allyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-allyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C

InChI

InChI=1S/C23H23N3O4S2/c1-3-12-26-21(28)19-16-6-4-5-7-17(16)32-20(19)25-23(26)31-13-18(27)24-15-10-8-14(9-11-15)22(29)30-2/h3,8-11H,1,4-7,12-13H2,2H3,(H,24,27)