methyl (5E)-5-[(3aS,6aR)-2-oxidanylidene-3-(phenylmethyl)-1,3a,6,6a-tetrahydrothieno[3,4-d]imidazol-4-ylidene]pentanoate

Systemtic Name: methyl (5E)-5-[(3aS,6aR)-2-oxidanylidene-3-(phenylmethyl)-1,3a,6,6a-tetrahydrothieno[3,4-d]imidazol-4-ylidene]pentanoate Openeye Name: methyl (5E)-5-[(3aS,6aR)-3-benzyl-2-oxo-1,3a,6,6a-tetrahydrothieno[3,4-d]imidazol-4-ylidene]pentanoate CAS Name: (5E)-5-[(3aS,6aR)-2-oxo-3-(phenylmethyl)-1,3a,6,6a-tetrahydrothieno[3,4-d]imidazol-4-ylidene]pentanoic acid methyl ester IUPAC Name: methyl (5E)-5-[(3aS,6aR)-3-benzyl-2-oxo-1,3a,6,6a-tetrahydrothieno[3,4-d]imidazol-4-ylidene]pentanoate Traditional Name: (5E)-5-[(3aS,6aR)-3-benzyl-2-keto-1,3a,6,6a-tetrahydrothien[3,4-d]imidazol-4-ylidene]valeric acid methyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=C1C2C(CS1)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC/C=C/1\[C@@H]2[C@H](CS1)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O3S/c1-23-16(21)10-6-5-9-15-17-14(12-24-15)19-18(22)20(17)11-13-7-3-2-4-8-13/h2-4,7-9,14,17H,5-6,10-12H2,1H3,(H,19,22)/b15-9+/t14-,17-/m0/s1