methyl 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate hydrochloride

Systemtic Name: methyl 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate hydrochloride Openeye Name: methyl 4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]benzoate hydrochloride CAS Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate hydrochloride Traditional Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]benzoic acid methyl ester hydrochloride Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3S2.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2.Cl

InChI

InChI=1S/C17H13NO2S.ClH/c1-20-17(19)13-9-6-12(7-10-13)8-11-16-18-14-4-2-3-5-15(14)21-16;/h2-11H,1H3;1H/b11-8+;