1-(4-methoxyphenyl)-3-[(4-nitrophenyl)amino]-3-(3-sulfanylidenefuran-2-yl)propan-1-one

Systemtic Name: 1-(4-methoxyphenyl)-3-[(4-nitrophenyl)amino]-3-(3-sulfanylidenefuran-2-yl)propan-1-one Openeye Name: 1-(4-methoxyphenyl)-3-(4-nitroanilino)-3-(3-thioxo-2-furyl)propan-1-one CAS Name: 1-(4-methoxyphenyl)-3-(4-nitroanilino)-3-(3-sulfanylidene-2-furanyl)-1-propanone IUPAC Name: 1-(4-methoxyphenyl)-3-(4-nitroanilino)-3-(3-sulfanylidenefuran-2-yl)propan-1-one Traditional Name: 1-(4-methoxyphenyl)-3-(4-nitroanilino)-3-(3-thioxo-2-furyl)propan-1-one Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC(C2C(=S)C=CO2)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC(C2C(=S)C=CO2)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5S/c1-26-16-8-2-13(3-9-16)18(23)12-17(20-19(28)10-11-27-20)21-14-4-6-15(7-5-14)22(24)25/h2-11,17,20-21H,12H2,1H3