ethanoic acid; 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]propanamide

Systemtic Name: ethanoic acid; 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]propanamide Openeye Name: acetic acid; 3-[4-(4-methoxyphenyl)-2-(2-pyridylamino)thiazol-5-yl]-N-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]propanamide CAS Name: acetic acid; 3-[4-(4-methoxyphenyl)-2-(2-pyridinylamino)-5-thiazolyl]-N-[(E)-[5-(4-nitrophenyl)-2-furanyl]methylideneamino]propanamide IUPAC Name: acetic acid; 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]propanamide Traditional Name: acetic acid; 3-[4-(4-methoxyphenyl)-2-(2-pyridylamino)thiazol-5-yl]-N-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]propionamide Formula: C31H28N6O7S MolecularWeight: 628.65502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=CC=N3)CCC(=O)NN=CC4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O.COC1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=CC=N3)CCC(=O)N/N=C/C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H24N6O5S.C2H4O2/c1-39-22-11-7-20(8-12-22)28-25(41-29(33-28)32-26-4-2-3-17-30-26)15-16-27(36)34-31-18-23-13-14-24(40-23)19-5-9-21(10-6-19)35(37)38;1-2(3)4/h2-14,17-18H,15-16H2,1H3,(H,34,36)(H,30,32,33);1H3,(H,3,4)/b31-18+;