methyl 3-[[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]amino]-4-methyl-benzoate CAS Name: 3-[[(E)-2-cyano-2-(4-methyl-2-thiazolyl)ethenyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]amino]-4-methylbenzoate Traditional Name: 3-[[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]amino]-4-methyl-benzoic acid methyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC=C(C#N)C2=NC(=CS2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N/C=C(\C#N)/C2=NC(=CS2)C

InChI

InChI=1S/C16H15N3O2S/c1-10-4-5-12(16(20)21-3)6-14(10)18-8-13(7-17)15-19-11(2)9-22-15/h4-6,8-9,18H,1-3H3/b13-8+