[6-methyl-5-[(2S)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-nitrobenzoate

Systemtic Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-nitrobenzoate Openeye Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [6-methyl-5-[(2S)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-keto-6-methyl-5-[(2S)-2-methylbutyl]-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N3O5S/c1-4-11(2)8-15-12(3)29-19-17(15)18(24)21-16(22-19)10-28-20(25)13-6-5-7-14(9-13)23(26)27/h5-7,9,11H,4,8,10H2,1-3H3,(H,21,22,24)/t11-/m0/s1