ethyl (E)-3-[3-chloranyl-4-[(2-sulfanylidene-1H-imidazol-3-yl)methyl]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-chloranyl-4-[(2-sulfanylidene-1H-imidazol-3-yl)methyl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-chloro-4-[(2-thioxo-1H-imidazol-3-yl)methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[3-chloro-4-[(2-sulfanylidene-1H-imidazol-3-yl)methyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-chloro-4-[(2-sulfanylidene-1H-imidazol-3-yl)methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-chloro-4-[(2-thioxo-4-imidazolin-1-yl)methyl]phenyl]acrylic acid ethyl ester Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=C(C=C1)CN2C=CNC2=S)Cl

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=C(C=C1)CN2C=CNC2=S)Cl

InChI

InChI=1S/C15H15ClN2O2S/c1-2-20-14(19)6-4-11-3-5-12(13(16)9-11)10-18-8-7-17-15(18)21/h3-9H,2,10H2,1H3,(H,17,21)/b6-4+