[7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] 4-methylbenzoate

Systemtic Name: [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] 4-methylbenzoate Openeye Name: [7-(4-nitrophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-nitrophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [7-(4-nitrophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] ester Formula: C21H13NO5S2 MolecularWeight: 423.46162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)[N+](=O)[O-])OC(=S)S3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)[N+](=O)[O-])OC(=S)S3

InChI

InChI=1S/C21H13NO5S2/c1-12-2-4-14(5-3-12)20(23)26-16-10-17(19-18(11-16)29-21(28)27-19)13-6-8-15(9-7-13)22(24)25/h2-11H,1H3