[(1E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-yl] hept-6-enoate

Systemtic Name: [(1E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-yl] hept-6-enoate Openeye Name: [(1S)-1-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]but-3-enyl] hept-6-enoate CAS Name: 6-heptenoic acid [(1E,3S)-2-methyl-1-(2-methyl-4-thiazolyl)hexa-1,5-dien-3-yl] ester IUPAC Name: [(1E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-yl] hept-6-enoate Traditional Name: hept-6-enoic acid [(1S)-1-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]but-3-enyl] ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=C(C)C(CC=C)OC(=O)CCCCC=C

Isomeric SMILES

CC1=NC(=CS1)/C=C(\C)/[C@H](CC=C)OC(=O)CCCCC=C

InChI

InChI=1S/C18H25NO2S/c1-5-7-8-9-11-18(20)21-17(10-6-2)14(3)12-16-13-22-15(4)19-16/h5-6,12-13,17H,1-2,7-11H2,3-4H3/b14-12+/t17-/m0/s1