5-oxidanylidenepent-4-enyl-[3-(phenylmethoxymethyl)-2-phenylsulfanyl-imidazol-4-yl]carbamic acid

Systemtic Name: 5-oxidanylidenepent-4-enyl-[3-(phenylmethoxymethyl)-2-phenylsulfanyl-imidazol-4-yl]carbamic acid Openeye Name: [3-(benzyloxymethyl)-2-phenylsulfanyl-imidazol-4-yl]-(5-oxopent-4-enyl)carbamic acid CAS Name: 5-oxopent-4-enyl-[3-(phenylmethoxymethyl)-2-(phenylthio)-4-imidazolyl]carbamic acid IUPAC Name: 5-oxopent-4-enyl-[3-(phenylmethoxymethyl)-2-phenylsulfanylimidazol-4-yl]carbamic acid Traditional Name: [3-(benzoxymethyl)-2-(phenylthio)imidazol-4-yl]-(5-ketopent-4-enyl)carbamic acid Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCN2C(=CN=C2SC3=CC=CC=C3)N(CCCC=C=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCN2C(=CN=C2SC3=CC=CC=C3)N(CCCC=C=O)C(=O)O

InChI

InChI=1S/C23H23N3O4S/c27-15-9-3-8-14-25(23(28)29)21-16-24-22(31-20-12-6-2-7-13-20)26(21)18-30-17-19-10-4-1-5-11-19/h1-2,4-7,9-13,16H,3,8,14,17-18H2,(H,28,29)