(2E)-2-[azanyl(phenyl)methylidene]-5-methyl-1-oxidanylidene-1-benzothiophen-3-one hydrate

Systemtic Name: (2E)-2-[azanyl(phenyl)methylidene]-5-methyl-1-oxidanylidene-1-benzothiophen-3-one hydrate Openeye Name: (2E)-2-[amino(phenyl)methylene]-5-methyl-1-oxo-benzothiophen-3-one hydrate CAS Name: (2E)-2-[amino(phenyl)methylidene]-5-methyl-1-oxo-1-benzothiophen-3-one hydrate IUPAC Name: (2E)-2-[amino(phenyl)methylidene]-5-methyl-1-oxo-1-benzothiophen-3-one hydrate Traditional Name: (2E)-2-[amino(phenyl)methylene]-1-keto-5-methyl-benzothiophen-3-one hydrate Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)S(=O)C(=C(C3=CC=CC=C3)N)C2=O.O

Isomeric SMILES

CC1=CC2=C(C=C1)S(=O)/C(=C(\C3=CC=CC=C3)/N)/C2=O.O

InChI

InChI=1S/C16H13NO2S.H2O/c1-10-7-8-13-12(9-10)15(18)16(20(13)19)14(17)11-5-3-2-4-6-11;/h2-9H,17H2,1H3;1H2/b16-14+;