ethyl (2E)-2-[azanyl(benzamido)methylidene]-4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[azanyl(benzamido)methylidene]-4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[amino(benzamido)methylene]-4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxo-butanoate CAS Name: (2E)-2-[amino(benzamido)methylidene]-4-(1,3-benzoxazol-2-ylthio)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[amino(benzamido)methylidene]-4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxobutanoate Traditional Name: (E)-3-amino-3-benzamido-2-[2-(1,3-benzoxazol-2-ylthio)acetyl]acrylic acid ethyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)NC(=O)C1=CC=CC=C1)C(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)/C(=C(\N)/NC(=O)C1=CC=CC=C1)/C(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H19N3O5S/c1-2-28-20(27)17(18(22)24-19(26)13-8-4-3-5-9-13)15(25)12-30-21-23-14-10-6-7-11-16(14)29-21/h3-11H,2,12,22H2,1H3,(H,24,26)/b18-17+