ethyl 4-(4-nitrophenyl)-2-[(3-oxidanylnaphthalen-2-yl)amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-(4-nitrophenyl)-2-[(3-oxidanylnaphthalen-2-yl)amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3-hydroxy-2-naphthyl)amino]-4-(4-nitrophenyl)thiazole-5-carboxylate CAS Name: 2-[(3-hydroxy-2-naphthalenyl)amino]-4-(4-nitrophenyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-hydroxynaphthalen-2-yl)amino]-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-hydroxy-2-naphthyl)amino]-4-(4-nitrophenyl)thiazole-5-carboxylic acid ethyl ester Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=CC3=CC=CC=C3C=C2O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=CC3=CC=CC=C3C=C2O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5S/c1-2-30-21(27)20-19(13-7-9-16(10-8-13)25(28)29)24-22(31-20)23-17-11-14-5-3-4-6-15(14)12-18(17)26/h3-12,26H,2H2,1H3,(H,23,24)