2-methoxy-4-[(E)-2-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethenyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(E)-2-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethenyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(E)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]vinyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(E)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethenyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethenyl]-6-nitrophenolate Traditional Name: 4-[(E)-2-[(7S)-4-keto-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]vinyl]-2-methoxy-6-nitro-phenolate Formula: C20H18N3O5S- MolecularWeight: 412.43902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C=CC4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)/C=C/C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-10-3-5-12-15(7-10)29-20-17(12)19(25)21-16(22-20)6-4-11-8-13(23(26)27)18(24)14(9-11)28-2/h4,6,8-10,24H,3,5,7H2,1-2H3,(H,21,22,25)/p-1/b6-4+/t10-/m0/s1