(2S)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-3-oxo-butanenitrile CAS Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-3-oxobutanenitrile IUPAC Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-3-oxobutanenitrile Traditional Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-keto-4-(4-methoxyphenyl)butyronitrile Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)[C@H](C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H14N2O2S/c1-22-13-8-6-12(7-9-13)10-16(21)14(11-19)18-20-15-4-2-3-5-17(15)23-18/h2-9,14H,10H2,1H3/t14-/m0/s1