[7-(4-nitrophenyl)-2-sulfanylidene-3H-1,2$l^{4}-benzoxathiol-5-yl] 4-methylbenzoate

Systemtic Name: [7-(4-nitrophenyl)-2-sulfanylidene-3H-1,2$l^{4}-benzoxathiol-5-yl] 4-methylbenzoate Openeye Name: [7-(4-nitrophenyl)-2-thioxo-3H-1,2$l^{4}-benzoxathiol-5-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [7-(4-nitrophenyl)-2-sulfanylidene-3H-1,2$l^{4}-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-nitrophenyl)-2-sulfanylidene-3H-1,2$l^{4}-benzoxathiol-5-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [7-(4-nitrophenyl)-2-thioxo-3H-1,2$l^{4}-benzoxathiol-5-yl] ester Formula: C21H15NO5S2 MolecularWeight: 425.4775

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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-])OS(=S)C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)[N+](=O)[O-])OS(=S)C3

InChI

InChI=1S/C21H15NO5S2/c1-13-2-4-15(5-3-13)21(23)26-18-10-16-12-29(28)27-20(16)19(11-18)14-6-8-17(9-7-14)22(24)25/h2-11H,12H2,1H3