methyl 2-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxidanylidene-butan-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxidanylidene-butan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-1-methyl-2-oxo-propyl]sulfanylacetate CAS Name: 2-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxobutan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxobutan-2-yl]sulfanylacetate Traditional Name: 2-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-1-methyl-propyl]thio]acetic acid methyl ester Formula: C15H14N2O3S2 MolecularWeight: 334.41326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)SCC(=O)OC

Isomeric SMILES

CC(C(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N)SCC(=O)OC

InChI

InChI=1S/C15H14N2O3S2/c1-9(21-8-13(18)20-2)14(19)10(7-16)15-17-11-5-3-4-6-12(11)22-15/h3-6,9,17H,8H2,1-2H3/b15-10+