5-ethynyl-N-[2-methyl-1-[[3-methyl-4-(2-oxidanylidene-1,3-oxazepan-3-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-ethynyl-N-[2-methyl-1-[[3-methyl-4-(2-oxidanylidene-1,3-oxazepan-3-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1,1-dimethyl-2-[3-methyl-4-(2-oxo-1,3-oxazepan-3-yl)anilino]-2-oxo-ethyl]-5-ethynyl-thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[2-methyl-1-[3-methyl-4-(2-oxo-1,3-oxazepan-3-yl)anilino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[2-methyl-1-[3-methyl-4-(2-oxo-1,3-oxazepan-3-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[2-keto-2-[4-(2-keto-1,3-oxazepan-3-yl)-3-methyl-anilino]-1,1-dimethyl-ethyl]thiophene-2-carboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)(C)NC(=O)C2=CC=C(S2)C#C)N3CCCCOC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)(C)NC(=O)C2=CC=C(S2)C#C)N3CCCCOC3=O

InChI

InChI=1S/C23H25N3O4S/c1-5-17-9-11-19(31-17)20(27)25-23(3,4)21(28)24-16-8-10-18(15(2)14-16)26-12-6-7-13-30-22(26)29/h1,8-11,14H,6-7,12-13H2,2-4H3,(H,24,28)(H,25,27)