pentyl (E)-2-(2-azanyl-1,3-thiazol-4-yl)but-2-enoate

Systemtic Name: pentyl (E)-2-(2-azanyl-1,3-thiazol-4-yl)but-2-enoate Openeye Name: pentyl (E)-2-(2-aminothiazol-4-yl)but-2-enoate CAS Name: (E)-2-(2-amino-4-thiazolyl)-2-butenoic acid pentyl ester IUPAC Name: pentyl (E)-2-(2-amino-1,3-thiazol-4-yl)but-2-enoate Traditional Name: (E)-2-(2-aminothiazol-4-yl)but-2-enoic acid amyl ester Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(=CC)C1=CSC(=N1)N

Isomeric SMILES

CCCCCOC(=O)/C(=C/C)/C1=CSC(=N1)N

InChI

InChI=1S/C12H18N2O2S/c1-3-5-6-7-16-11(15)9(4-2)10-8-17-12(13)14-10/h4,8H,3,5-7H2,1-2H3,(H2,13,14)/b9-4+