methyl 3-[2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H25N3O7S2 MolecularWeight: 507.5798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O7S2/c1-31-22(28)21-16(8-11-33-21)23-19(26)13-25-17-12-15(6-7-18(17)32-14-20(25)27)34(29,30)24-9-4-2-3-5-10-24/h6-8,11-12H,2-5,9-10,13-14H2,1H3,(H,23,26)