4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(1,3-benzothiazol-2-yl)-3-keto-prop-1-enyl]benzoate Formula: C17H10NO3S- MolecularWeight: 308.3312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=O)C=CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H11NO3S/c19-14(16-18-13-3-1-2-4-15(13)22-16)10-7-11-5-8-12(9-6-11)17(20)21/h1-10H,(H,20,21)/p-1/b10-7+