ethyl 4-[(E)-[azanyl-(1,3-benzoxazol-2-ylamino)methylidene]amino]sulfonylbenzoate

Systemtic Name: ethyl 4-[(E)-[azanyl-(1,3-benzoxazol-2-ylamino)methylidene]amino]sulfonylbenzoate Openeye Name: ethyl 4-[(E)-[amino-(1,3-benzoxazol-2-ylamino)methylene]amino]sulfonylbenzoate CAS Name: 4-[(E)-[amino-(1,3-benzoxazol-2-ylamino)methylidene]amino]sulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-[amino-(1,3-benzoxazol-2-ylamino)methylidene]amino]sulfonylbenzoate Traditional Name: 4-[(E)-[amino-(1,3-benzoxazol-2-ylamino)methylene]amino]sulfonylbenzoic acid ethyl ester Formula: C17H16N4O5S MolecularWeight: 388.39774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N=C(N)NC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/NC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H16N4O5S/c1-2-25-15(22)11-7-9-12(10-8-11)27(23,24)21-16(18)20-17-19-13-5-3-4-6-14(13)26-17/h3-10H,2H2,1H3,(H3,18,19,20,21)