methyl 5-[2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-ethoxy-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-ethoxy-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-ethoxy-benzothiophene-2-carboxylate CAS Name: 5-[[2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]-3-ethoxy-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-ethoxy-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]-3-ethoxy-benzothiophene-2-carboxylic acid methyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)C(C)(C)C)C(=O)OC

Isomeric SMILES

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C26H28N2O6S/c1-6-33-23-17-12-16(8-10-20(17)35-24(23)25(31)32-5)27-21(29)13-28-18-11-15(26(2,3)4)7-9-19(18)34-14-22(28)30/h7-12H,6,13-14H2,1-5H3,(H,27,29)