ethyl 2-[2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-(3-nitrophenyl)amino]ethanoate

Systemtic Name: ethyl 2-[2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-(3-nitrophenyl)amino]ethanoate Openeye Name: ethyl 2-(N-[2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-nitro-anilino)acetate CAS Name: 2-(N-[2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3-nitroanilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3-nitroanilino)acetate Traditional Name: 2-(N-[2-[[5-(4-tert-butylphenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetyl]-3-nitro-anilino)acetic acid ethyl ester Formula: C28H35N5O6S MolecularWeight: 569.6724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(N2CCCOC)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])C(=O)CSC2=NN=C(N2CCCOC)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H35N5O6S/c1-6-39-25(35)18-32(22-9-7-10-23(17-22)33(36)37)24(34)19-40-27-30-29-26(31(27)15-8-16-38-5)20-11-13-21(14-12-20)28(2,3)4/h7,9-14,17H,6,8,15-16,18-19H2,1-5H3