6-[[4-(2-adamantyl)-3H-1,3-thiazol-2-ylidene]azaniumylmethyl]-2,3-dimethoxy-benzoate

Systemtic Name: 6-[[4-(2-adamantyl)-3H-1,3-thiazol-2-ylidene]azaniumylmethyl]-2,3-dimethoxy-benzoate Openeye Name: 6-[[4-(2-adamantyl)-3H-thiazol-2-ylidene]ammoniomethyl]-2,3-dimethoxy-benzoate CAS Name: 6-[[4-(2-adamantyl)-3H-thiazol-2-ylidene]ammoniomethyl]-2,3-dimethoxybenzoate IUPAC Name: 6-[[4-(2-adamantyl)-3H-1,3-thiazol-2-ylidene]azaniumylmethyl]-2,3-dimethoxybenzoate Traditional Name: 6-[[4-(2-adamantyl)-4-thiazolin-2-ylidene]ammoniomethyl]-2,3-dimethoxy-benzoate Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]=C2NC(=CS2)C3C4CC5CC(C4)CC3C5)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]=C2NC(=CS2)C3C4CC5CC(C4)CC3C5)C(=O)[O-])OC

InChI

InChI=1S/C23H28N2O4S/c1-28-18-4-3-14(20(22(26)27)21(18)29-2)10-24-23-25-17(11-30-23)19-15-6-12-5-13(8-15)9-16(19)7-12/h3-4,11-13,15-16,19H,5-10H2,1-2H3,(H,24,25)(H,26,27)