ethyl 2-[3-[3-[3,5-bis(oxidanylidene)-4-(phenylmethyl)-6-thiophen-2-yl-1,2,4-triazin-2-yl]propyl]phenoxy]-2-methyl-propanoate

Systemtic Name: ethyl 2-[3-[3-[3,5-bis(oxidanylidene)-4-(phenylmethyl)-6-thiophen-2-yl-1,2,4-triazin-2-yl]propyl]phenoxy]-2-methyl-propanoate Openeye Name: ethyl 2-[3-[3-[4-benzyl-3,5-dioxo-6-(2-thienyl)-1,2,4-triazin-2-yl]propyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[3-[3-[3,5-dioxo-4-(phenylmethyl)-6-thiophen-2-yl-1,2,4-triazin-2-yl]propyl]phenoxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-(4-benzyl-3,5-dioxo-6-thiophen-2-yl-1,2,4-triazin-2-yl)propyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[3-[3-[4-benzyl-3,5-diketo-6-(2-thienyl)-1,2,4-triazin-2-yl]propyl]phenoxy]-2-methyl-propionic acid ethyl ester Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC1=CC=CC(=C1)CCCN2C(=O)N(C(=O)C(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(C)(C)OC1=CC=CC(=C1)CCCN2C(=O)N(C(=O)C(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O5S/c1-4-36-27(34)29(2,3)37-23-15-8-13-21(19-23)14-9-17-32-28(35)31(20-22-11-6-5-7-12-22)26(33)25(30-32)24-16-10-18-38-24/h5-8,10-13,15-16,18-19H,4,9,14,17,20H2,1-3H3