(E)-2-[(4-methoxyphenyl)methylsulfonyl]-3-(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)prop-2-enenitrile

Systemtic Name: (E)-2-[(4-methoxyphenyl)methylsulfonyl]-3-(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)prop-2-enenitrile Openeye Name: (E)-2-[(4-methoxyphenyl)methylsulfonyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)prop-2-enenitrile CAS Name: (E)-2-[(4-methoxyphenyl)methylsulfonyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-propenenitrile IUPAC Name: (E)-2-[(4-methoxyphenyl)methylsulfonyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-keto-3H-1,3-benzoxazol-6-yl)-2-p-anisylsulfonyl-acrylonitrile Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CS(=O)(=O)C(=CC2=CC3=C(C=C2)NC(=O)O3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CS(=O)(=O)/C(=C/C2=CC3=C(C=C2)NC(=O)O3)/C#N

InChI

InChI=1S/C18H14N2O5S/c1-24-14-5-2-12(3-6-14)11-26(22,23)15(10-19)8-13-4-7-16-17(9-13)25-18(21)20-16/h2-9H,11H2,1H3,(H,20,21)/b15-8+