(2S)-2-ethanimidoyl-4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-ethanimidoyl-4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-ethanimidoyl-4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-oxo-butanenitrile CAS Name: (2S)-4-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-2-ethanimidoyl-4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-3-keto-butyronitrile Formula: C15H15N3O2S2 MolecularWeight: 333.4285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C15H15N3O2S2/c1-3-20-10-4-5-12-14(6-10)22-15(18-12)21-8-13(19)11(7-16)9(2)17/h4-6,11,17H,3,8H2,1-2H3/t11-/m1/s1